7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C31H29ClFN3O4 MolecularWeight: 562.031063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)F)C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl)F)C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C31H29ClFN3O4/c1-40-30-27-23(29(37)24(31(38)39)18-36(27)22-11-12-22)17-25(33)28(30)35-15-13-34(14-16-35)26(19-5-3-2-4-6-19)20-7-9-21(32)10-8-20/h2-10,17-18,22,26H,11-16H2,1H3,(H,38,39)