4-[[4-cyano-3-[(diphenylmethyl)amino]phenyl]methyl]-2,6-dimethyl-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[[4-cyano-3-[(diphenylmethyl)amino]phenyl]methyl]-2,6-dimethyl-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[[3-(benzhydrylamino)-4-cyano-phenyl]methyl]-2,6-dimethyl-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[[4-cyano-3-[(diphenylmethyl)amino]phenyl]methyl]-2,6-dimethyl-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[[3-(benzhydrylamino)-4-cyanophenyl]methyl]-2,6-dimethyl-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-[3-(benzhydrylamino)-4-cyano-benzyl]-3-keto-2,6-dimethyl-piperazine-1-carboxylic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C(N1C(=O)O)C)CC2=CC(=C(C=C2)C#N)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C(=O)C(N1C(=O)O)C)CC2=CC(=C(C=C2)C#N)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3/c1-19-17-31(27(33)20(2)32(19)28(34)35)18-21-13-14-24(16-29)25(15-21)30-26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-15,19-20,26,30H,17-18H2,1-2H3,(H,34,35)