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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2C#N)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2C#N)N3CCN(CC3)C(=O)O

InChI

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