1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 1-[(N-(3-chlorophenyl)anilino)-oxomethyl]-4-[oxo-(N-phenylanilino)methyl]-2-piperazinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-phenylcarbamoyl]-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid Formula: C31H27ClN4O4 MolecularWeight: 555.02348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)C(=O)N(C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(C(CN1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O)C(=O)N(C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H27ClN4O4/c32-23-11-10-18-27(21-23)36(26-16-8-3-9-17-26)31(40)34-20-19-33(22-28(34)29(37)38)30(39)35(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-18,21,28H,19-20,22H2,(H,37,38)