[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=C3)C)C#N

InChI

InChI=1S/C23H26N4O4/c1-16-19(17(2)25-23(30)20(16)14-24)8-9-22(29)31-15-21(28)27-12-10-26(11-13-27)18-6-4-3-5-7-18/h3-7H,8-13,15H2,1-2H3,(H,25,30)