7-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1,3-benzodioxol-5-yl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1,3-benzodioxol-5-yl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H22FN3O5 MolecularWeight: 451.446983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC6=C(C=C5)OCO6)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC6=C(C=C5)OCO6)F)C(=O)O

InChI

InChI=1S/C24H22FN3O5/c25-17-8-15-19(28(14-2-3-14)10-16(23(15)29)24(30)31)9-20(17)27-6-5-26-18(11-27)13-1-4-21-22(7-13)33-12-32-21/h1,4,7-10,14,18,26H,2-3,5-6,11-12H2,(H,30,31)