4-[2-cyano-6-fluoranyl-3-[(phenylmethyl)amino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-cyano-6-fluoranyl-3-[(phenylmethyl)amino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-(benzylamino)-2-cyano-6-fluoro-phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-cyano-6-fluoro-3-[(phenylmethyl)amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-(benzylamino)-2-cyano-6-fluorophenyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-(benzylamino)-2-cyano-6-fluoro-phenyl]piperazine-1-carboxylic acid Formula: C19H19FN4O2 MolecularWeight: 354.378163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC(=C2C#N)NCC3=CC=CC=C3)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC(=C2C#N)NCC3=CC=CC=C3)F)C(=O)O

InChI

InChI=1S/C19H19FN4O2/c20-16-6-7-17(22-13-14-4-2-1-3-5-14)15(12-21)18(16)23-8-10-24(11-9-23)19(25)26/h1-7,22H,8-11,13H2,(H,25,26)