ethyl 5-cyano-2-methyl-6-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-(benzylamino)-2-oxo-ethyl]-1-piperidyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-(benzylamino)-2-oxoethyl]piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[4-[2-(benzylamino)-2-keto-ethyl]piperidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)CC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)CC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C24H28N4O3/c1-3-31-24(30)21-14-20(15-25)23(27-17(21)2)28-11-9-18(10-12-28)13-22(29)26-16-19-7-5-4-6-8-19/h4-8,14,18H,3,9-13,16H2,1-2H3,(H,26,29)