molconvert name error

Dear experts,

I want to generate an iupac name for aromatic fused molecules and I am getting the following dearomatization error.

 molconvert name -s "c1cc2c3cncc3ccc2c2cCcc12"
 1: cannot convert molecule to name: The structure could not be dearomatized

the same error prevails for all of the following smiles:

c1cc2c3cncc3ccc2c2cCcc12
c1cc2c(ccc3ccccc23)c2cncc12
c1cc2c3nsnc3ccc2c2cncc12
c1cc2c3cocc3ccc2c2cncc12
c1cc2c3cscc3ccc2c2cncc12
c1cc2c3cncc3ccc2c2c[SiH2]cc12

Thank your very much for your help!

Sule

(Academic License holder)

Product Version:

MarvinView 5.2.3
Build Date:
2009-07-10
Operating System:
i386 Mac OS X 10.5.8
Java:
Apple Inc. Java 1.5.0_20

Hello,

It seemed that inserting an H-atom for the N-atoms such as c1cc2c3cn([H])cc3ccc2c2cCcc12 for the pyroles is necessary for molconvert to work. I think that defining an aromatic n is not enough. Can someone confirm that? And if there is a way around this, since we like to keep the nitrogens in the pyroles as "n" instead of "n([H])". Thanks,

sule

Dear Sule,

Since this originates from a dearomatization issue, I will redirect this issue in another forum and assign it to the corresponding expert. Sorry for the delay.

Daniel

Hi,

I want to generate an iupac name for aromatic fused molecules...

Try to sketch the Kekulé representation for the "aromatic fused molecules" by hand. You will see that this is not possible.  

Smiles representation of your fused molecules are not correct.  This why  the "iupac name" does not exist.

Jozsi