8-chloranyl-6-fluoranyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-fluoranyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxidanylidene-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-7-[4-(4-fluorophenyl)-1-piperazinyl]-4-oxo-1-[4-(1-pyrrolidinylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-7-[4-(4-fluorophenyl)piperazino]-4-keto-1-[4-(pyrrolidinomethyl)phenyl]quinoline-3-carboxylic acid Formula: C31H29ClF2N4O3 MolecularWeight: 579.036766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)Cl)N5CCN(CC5)C6=CC=C(C=C6)F)F)C(=O)O

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)Cl)N5CCN(CC5)C6=CC=C(C=C6)F)F)C(=O)O

InChI

InChI=1S/C31H29ClF2N4O3/c32-27-28-24(17-26(34)29(27)37-15-13-36(14-16-37)22-9-5-21(33)6-10-22)30(39)25(31(40)41)19-38(28)23-7-3-20(4-8-23)18-35-11-1-2-12-35/h3-10,17,19H,1-2,11-16,18H2,(H,40,41)