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Chemistry Forums for Students => Undergraduate General Chemistry Forum => Topic started by: BARAJAN on June 16, 2013, 08:59:34 AM

Title: namenculture of spiro compounds
Post by: BARAJAN on June 16, 2013, 08:59:34 AM
hi guys
I have one structure without name, I have drawed it with chem office but the software was unable to generate any name either, the structure is:
(http://)
also I would be very grateful to tell me what should I do (I mean how I can find a name for such compounds) in same situation in future
thanks
Title: Re: nomenclature of spiro compounds
Post by: sjb on June 16, 2013, 11:12:14 AM
Quote from: BARAJAN on June 16, 2013, 08:59:34 AM
hi guys
I have one structure without name, I have drawed it with chem office but the software was unable to generate any name either, the structure is:
(http://)
also I would be very grateful to tell me what should I do (I mean how I can find a name for such compounds) in same situation in future
thanks

In general, perhaps try simplifying your structure a little so that the core features are still present and see if that can be named, so for instance does ChemDraw name the compound that doesn't have the amine, or the nitrile, or maybe even the benzene instead of the naphthalene? Can you name the two parts to the system individually?

(edit typos in subject)
Title: Re: namenculture of spiro compounds
Post by: curiouscat on July 18, 2013, 03:55:00 AM
Would be fun to try in  SMILES. My try:

c1cccc(Nc(=O)c23(c(ccc(cccc5)c45)=c4Oc(N)=c3(C#N)))c21

Ugh. Still can't get it. Glad if anyone can fix it..

c1cccc(Nc(=O)c23(c(ccc(cccc5)c45)c4Oc(N)=c3(C#N)))c21

Got it, I think.
Title: Re: namenculture of spiro compounds
Post by: Archer on July 18, 2013, 04:56:27 AM
I used to set assignments like this one, make the molecule too large or with too many cycles to use chemical nomenclature software.

Split the molecule where it is fused, name both sections and then follow the IUPAC rules for naming spiro compounds.

http://www.chem.qmul.ac.uk/iupac/spiro/