4-[3-[(3-chlorophenyl)carbonylamino]-2-cyano-phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-[(3-chlorophenyl)carbonylamino]-2-cyano-phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-[(3-chlorobenzoyl)amino]-2-cyano-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[3-[[(3-chlorophenyl)-oxomethyl]amino]-2-cyanophenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-[(3-chlorobenzoyl)amino]-2-cyanophenyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-[(3-chlorobenzoyl)amino]-2-cyano-phenyl]piperazine-1-carboxylic acid Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)NC(=O)C3=CC(=CC=C3)Cl)C#N)C(=O)O

InChI

InChI=1S/C19H17ClN4O3/c20-14-4-1-3-13(11-14)18(25)22-16-5-2-6-17(15(16)12-21)23-7-9-24(10-8-23)19(26)27/h1-6,11H,7-10H2,(H,22,25)(H,26,27)