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

Systemtic Name: 8-chloranyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-1-[4-(1-pyrrolidinylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-4-keto-7-[4-(2-pyridyl)piperazino]-1-[4-(pyrrolidinomethyl)phenyl]quinoline-3-carboxylic acid Formula: C30H29ClFN5O3 MolecularWeight: 562.034363

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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=CC=N6)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=CC=N6)F)C(=O)O

InChI

InChI=1S/C30H29ClFN5O3/c31-26-27-22(17-24(32)28(26)36-15-13-35(14-16-36)25-5-1-2-10-33-25)29(38)23(30(39)40)19-37(27)21-8-6-20(7-9-21)18-34-11-3-4-12-34/h1-2,5-10,17,19H,3-4,11-16,18H2,(H,39,40)