7-[2-(cyanomethyl)-4-(phenylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(cyanomethyl)-4-(phenylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-benzyl-2-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(cyanomethyl)-4-(phenylmethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-benzyl-2-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-benzyl-2-(cyanomethyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H25FN4O3 MolecularWeight: 460.500103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4CC#N)CC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4CC#N)CC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C26H25FN4O3/c27-22-12-20-23(31(18-6-7-18)16-21(25(20)32)26(33)34)13-24(22)30-11-10-29(15-19(30)8-9-28)14-17-4-2-1-3-5-17/h1-5,12-13,16,18-19H,6-8,10-11,14-15H2,(H,33,34)