N-butyl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-butyl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-butyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: N-butyl-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-butyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: N-butyl-1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxamide Formula: C21H29FN4O2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC

Isomeric SMILES

CCCCNC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC

InChI

InChI=1S/C21H29FN4O2/c1-4-6-7-23-21(28)16-14-25(5-2)18-13-19(17(22)12-15(18)20(16)27)26-10-8-24(3)9-11-26/h12-14H,4-11H2,1-3H3,(H,23,28)