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

Systemtic Name: 5-azanyl-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(4-piperonylpiperazino)quinoline-3-carboxylic acid Formula: C26H27FN4O6 MolecularWeight: 510.514183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H27FN4O6/c1-35-25-22-19(24(32)16(26(33)34)12-31(22)15-3-4-15)21(28)20(27)23(25)30-8-6-29(7-9-30)11-14-2-5-17-18(10-14)37-13-36-17/h2,5,10,12,15H,3-4,6-9,11,13,28H2,1H3,(H,33,34)