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

Systemtic Name: 7-[4-(2-cyanoethyl)-3-phenyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-cyanoethyl)-3-phenyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-cyanoethyl)-3-phenyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-cyanoethyl)-3-phenylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-cyanoethyl)-3-phenyl-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(C(C4)C5=CC=CC=C5)CCC#N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)CCC#N)F)C(=O)O

InChI

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