ethyl 4-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-4-oxidanylidene-2,2-diphenyl-butanoate

Systemtic Name: ethyl 4-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-4-oxidanylidene-2,2-diphenyl-butanoate Openeye Name: ethyl 4-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-4-oxo-2,2-diphenyl-butanoate CAS Name: 4-[4-[cyano-(2-methyl-3-pyridinyl)methyl]-1-piperazinyl]-4-oxo-2,2-diphenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-4-oxo-2,2-diphenylbutanoate Traditional Name: 4-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazino]-4-keto-2,2-diphenyl-butyric acid ethyl ester Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)N1CCN(CC1)C(C#N)C2=C(N=CC=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC(=O)N1CCN(CC1)C(C#N)C2=C(N=CC=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O3/c1-3-37-29(36)30(24-11-6-4-7-12-24,25-13-8-5-9-14-25)21-28(35)34-19-17-33(18-20-34)27(22-31)26-15-10-16-32-23(26)2/h4-16,27H,3,17-21H2,1-2H3