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

Systemtic Name: 1-[[4-cyano-3-[(diphenylmethylidene)amino]phenyl]methyl]-6-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[[3-(benzhydrylideneamino)-4-cyano-phenyl]methyl]-6-oxo-piperazine-2-carboxylic acid CAS Name: 1-[[4-cyano-3-[(diphenylmethylene)amino]phenyl]methyl]-6-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[[3-(benzhydrylideneamino)-4-cyanophenyl]methyl]-6-oxopiperazine-2-carboxylic acid Traditional Name: 1-[3-(benzhydrylideneamino)-4-cyano-benzyl]-6-keto-piperazine-2-carboxylic acid Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CN1)CC2=CC(=C(C=C2)C#N)N=C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(N(C(=O)CN1)CC2=CC(=C(C=C2)C#N)N=C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22N4O3/c27-14-21-12-11-18(17-30-23(26(32)33)15-28-16-24(30)31)13-22(21)29-25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-13,23,28H,15-17H2,(H,32,33)