7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(4-piperonylpiperazino)quinoline-3-carboxylic acid Formula: C26H26FN3O6 MolecularWeight: 495.499543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)F)C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)F)C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C26H26FN3O6/c1-34-25-22-17(24(31)18(26(32)33)13-30(22)16-3-4-16)11-19(27)23(25)29-8-6-28(7-9-29)12-15-2-5-20-21(10-15)36-14-35-20/h2,5,10-11,13,16H,3-4,6-9,12,14H2,1H3,(H,32,33)