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

Systemtic Name: N-butan-2-yl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-2-oxo-N-sec-butyl-quinoline-3-carboxamide CAS Name: N-butan-2-yl-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-2-oxo-3-quinolinecarboxamide IUPAC Name: N-butan-2-yl-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-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=CC2=CC(=C(C=C2N(C1=O)CC)N3CCN(CC3)C)F

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=CC(=C(C=C2N(C1=O)CC)N3CCN(CC3)C)F

InChI

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