N-butan-2-yl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-butan-2-yl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-sec-butyl-quinoline-3-carboxamide CAS Name: N-butan-2-yl-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-butan-2-yl-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)-N-sec-butyl-quinoline-3-carboxamide Formula: C21H29FN4O2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O2/c1-5-14(3)23-21(28)16-13-25(6-2)18-12-19(17(22)11-15(18)20(16)27)26-9-7-24(4)8-10-26/h11-14H,5-10H2,1-4H3,(H,23,28)