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

Systemtic Name: 8-chloranyl-6-fluoranyl-4-oxidanylidene-1-[4-(propan-2-ylamino)phenyl]-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-1-[4-(isopropylamino)phenyl]-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-4-oxo-1-[4-(propan-2-ylamino)phenyl]-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-4-oxo-1-[4-(propan-2-ylamino)phenyl]-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-1-[4-(isopropylamino)phenyl]-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C28H27ClFN5O3 MolecularWeight: 535.997083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

CC(C)NC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C28H27ClFN5O3/c1-17(2)32-18-6-8-19(9-7-18)35-16-21(28(37)38)27(36)20-15-22(30)26(24(29)25(20)35)34-13-11-33(12-14-34)23-5-3-4-10-31-23/h3-10,15-17,32H,11-14H2,1-2H3,(H,37,38)