4-(3-benzamido-2-cyano-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-benzamido-2-cyano-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-benzamido-2-cyano-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-benzamido-2-cyanophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-benzamido-2-cyanophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-benzamido-2-cyano-phenyl)piperazine-1-carboxylic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c20-13-15-16(21-18(24)14-5-2-1-3-6-14)7-4-8-17(15)22-9-11-23(12-10-22)19(25)26/h1-8H,9-12H2,(H,21,24)(H,25,26)