8-chloranyl-6-fluoranyl-1-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-fluoranyl-1-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-1-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-[4-[[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]methyl]phenyl]-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-4-keto-1-[4-[[(2R)-2-(methoxymethyl)pyrrolidino]methyl]phenyl]-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C32H33ClFN5O4 MolecularWeight: 606.086923

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1CC2=CC=C(C=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)Cl)N5CCN(CC5)C6=CC=CC=N6)F)C(=O)O

Isomeric SMILES

COC[C@H]1CCCN1CC2=CC=C(C=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)Cl)N5CCN(CC5)C6=CC=CC=N6)F)C(=O)O

InChI

InChI=1S/C32H33ClFN5O4/c1-43-20-23-5-4-12-38(23)18-21-7-9-22(10-8-21)39-19-25(32(41)42)31(40)24-17-26(34)30(28(33)29(24)39)37-15-13-36(14-16-37)27-6-2-3-11-35-27/h2-3,6-11,17,19,23H,4-5,12-16,18,20H2,1H3,(H,41,42)/t23-/m1/s1