3-(1H-benzimidazol-2-yl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(octan-3-ylamino)quinolin-2-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(octan-3-ylamino)quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-2-one CAS Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methyl-1-piperazinyl)-1-(octan-3-ylamino)-2-quinolinone IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1-(octan-3-ylamino)quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-fluoro-7-(4-methylpiperazino)carbostyril Formula: C29H37FN6O MolecularWeight: 504.642083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=CC(=C(C=C2C=C(C1=O)C3=NC4=CC=CC=C4N3)F)N5CCN(CC5)C

Isomeric SMILES

CCCCCC(CC)NN1C2=CC(=C(C=C2C=C(C1=O)C3=NC4=CC=CC=C4N3)F)N5CCN(CC5)C

InChI

InChI=1S/C29H37FN6O/c1-4-6-7-10-21(5-2)33-36-26-19-27(35-15-13-34(3)14-16-35)23(30)18-20(26)17-22(29(36)37)28-31-24-11-8-9-12-25(24)32-28/h8-9,11-12,17-19,21,33H,4-7,10,13-16H2,1-3H3,(H,31,32)