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

Systemtic Name: N-dodecyl-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-dodecyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: N-dodecyl-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-dodecyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-4-keto-N-lauryl-7-(4-methylpiperazino)quinoline-3-carboxamide Formula: C29H45FN4O2 MolecularWeight: 500.691603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45FN4O2/c1-4-6-7-8-9-10-11-12-13-14-15-31-29(36)24-22-33(5-2)26-21-27(25(30)20-23(26)28(24)35)34-18-16-32(3)17-19-34/h20-22H,4-19H2,1-3H3,(H,31,36)