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

Systemtic Name: 8-chloranyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-1-[4-(1-pyrrolidinylmethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-4-oxo-7-(4-pyrimidin-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-pyrimidyl)piperazino]-1-[4-(pyrrolidinomethyl)phenyl]quinoline-3-carboxylic acid Formula: C29H28ClFN6O3 MolecularWeight: 563.022423

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

InChI

InChI=1S/C29H28ClFN6O3/c30-24-25-21(16-23(31)26(24)35-12-14-36(15-13-35)29-32-8-3-9-33-29)27(38)22(28(39)40)18-37(25)20-6-4-19(5-7-20)17-34-10-1-2-11-34/h3-9,16,18H,1-2,10-15,17H2,(H,39,40)