ethyl 5-cyano-2-methyl-6-[4-[(phenylmethyl)carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-[(phenylmethyl)carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylcarbamoyl)-1,4-diazepan-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[oxo-[(phenylmethyl)amino]methyl]-1,4-diazepan-1-yl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylcarbamoyl)-1,4-diazepan-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-(benzylcarbamoyl)-1,4-diazepan-1-yl]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H27N5O3/c1-3-31-22(29)20-14-19(15-24)21(26-17(20)2)27-10-7-11-28(13-12-27)23(30)25-16-18-8-5-4-6-9-18/h4-6,8-9,14H,3,7,10-13,16H2,1-2H3,(H,25,30)