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

Systemtic Name: 4-[2-cyano-3-[(2-methylphenyl)carbonylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-cyano-3-[(2-methylbenzoyl)amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-cyano-3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-cyano-3-[(2-methylbenzoyl)amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-cyano-3-(o-toluoylamino)phenyl]piperazine-1-carboxylic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2C#N)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=CC(=C2C#N)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C20H20N4O3/c1-14-5-2-3-6-15(14)19(25)22-17-7-4-8-18(16(17)13-21)23-9-11-24(12-10-23)20(26)27/h2-8H,9-12H2,1H3,(H,22,25)(H,26,27)