N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-2-oxo-quinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-2-oxo-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-2-oxoquinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-2-keto-7-(4-methylpiperazino)-N-piperonyl-quinoline-3-carboxamide Formula: C25H27FN4O4 MolecularWeight: 466.504683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C=C(C1=O)C(=O)NCC3=CC4=C(C=C3)OCO4)F)N5CCN(CC5)C

Isomeric SMILES

CCN1C2=CC(=C(C=C2C=C(C1=O)C(=O)NCC3=CC4=C(C=C3)OCO4)F)N5CCN(CC5)C

InChI

InChI=1S/C25H27FN4O4/c1-3-30-20-13-21(29-8-6-28(2)7-9-29)19(26)12-17(20)11-18(25(30)32)24(31)27-14-16-4-5-22-23(10-16)34-15-33-22/h4-5,10-13H,3,6-9,14-15H2,1-2H3,(H,27,31)