N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-N-piperonyl-quinoline-3-carboxamide Formula: C29H27FN4O6 MolecularWeight: 546.546283

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H27FN4O6/c1-2-32-16-20(28(36)31-15-18-5-6-24-26(12-18)40-17-39-24)27(35)19-13-21(30)23(14-22(19)32)33-7-9-34(10-8-33)29(37)25-4-3-11-38-25/h3-6,11-14,16H,2,7-10,15,17H2,1H3,(H,31,36)