1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-7-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methyl-4-oxo-7-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzylpiperazino)-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C25H26FN3O3 MolecularWeight: 435.490643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCN(CC3)CC4=CC=CC=C4)F)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCN(CC3)CC4=CC=CC=C4)F)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C25H26FN3O3/c1-16-22-19(24(30)20(25(31)32)15-29(22)18-7-8-18)13-21(26)23(16)28-11-9-27(10-12-28)14-17-5-3-2-4-6-17/h2-6,13,15,18H,7-12,14H2,1H3,(H,31,32)