methyl (6S)-5-(4-cyanophenyl)carbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: methyl (6S)-5-(4-cyanophenyl)carbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate Openeye Name: methyl (6S)-5-(4-cyanobenzoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate CAS Name: (6S)-5-[(4-cyanophenyl)-oxomethyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl (6S)-5-(4-cyanobenzoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate Traditional Name: (6S)-5-(4-cyanobenzoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1CN(C(C2)C(=O)OC)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C=NC2=C1CN([C@@H](C2)C(=O)OC)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16N4O3/c1-20-10-19-13-7-14(17(23)24-2)21(9-15(13)20)16(22)12-5-3-11(8-18)4-6-12/h3-6,10,14H,7,9H2,1-2H3/t14-/m0/s1