1-cyclopropyl-7-(4-ethanoyl-3-methyl-piperazin-1-yl)-6-fluoranyl-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(4-ethanoyl-3-methyl-piperazin-1-yl)-6-fluoranyl-4-oxidanylidene-5-[(phenylmethyl)amino]quinoline-3-carboxylic acid Openeye Name: 7-(4-acetyl-3-methyl-piperazin-1-yl)-5-(benzylamino)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-acetyl-3-methyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-5-[(phenylmethyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-acetyl-3-methylpiperazin-1-yl)-5-(benzylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-acetyl-3-methyl-piperazino)-5-(benzylamino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C27H29FN4O4 MolecularWeight: 492.541963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)NCC5=CC=CC=C5)F

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)NCC5=CC=CC=C5)F

InChI

InChI=1S/C27H29FN4O4/c1-16-14-30(10-11-31(16)17(2)33)22-12-21-23(25(24(22)28)29-13-18-6-4-3-5-7-18)26(34)20(27(35)36)15-32(21)19-8-9-19/h3-7,12,15-16,19,29H,8-11,13-14H2,1-2H3,(H,35,36)