(3-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: (3-chlorophenyl)methyl 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-(4-acetyl-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-acetylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid (3-chlorobenzyl) ester Formula: C26H25ClFN3O4 MolecularWeight: 497.945803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OCC4=CC(=CC=C4)Cl)C5CC5)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)OCC4=CC(=CC=C4)Cl)C5CC5)F

InChI

InChI=1S/C26H25ClFN3O4/c1-16(32)29-7-9-30(10-8-29)24-13-23-20(12-22(24)28)25(33)21(14-31(23)19-5-6-19)26(34)35-15-17-3-2-4-18(27)11-17/h2-4,11-14,19H,5-10,15H2,1H3