6-fluoranyl-1-(1-methylcyclopropyl)-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(1-methylcyclopropyl)-4-oxidanylidene-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(1-methylcyclopropyl)-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(1-methylcyclopropyl)-4-oxo-7-(4-phenacyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(1-methylcyclopropyl)-4-oxo-7-(4-phenacylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(1-methylcyclopropyl)-7-(4-phenacylpiperazino)quinoline-3-carboxylic acid Formula: C26H26FN3O4 MolecularWeight: 463.500743

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

CC1(CC1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C26H26FN3O4/c1-26(7-8-26)30-15-19(25(33)34)24(32)18-13-20(27)22(14-21(18)30)29-11-9-28(10-12-29)16-23(31)17-5-3-2-4-6-17/h2-6,13-15H,7-12,16H2,1H3,(H,33,34)