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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-fluoranyl-1-(octan-3-ylamino)-7-piperidin-1-yl-quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-fluoro-7-(1-piperidyl)quinolin-2-one CAS Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-1-(octan-3-ylamino)-7-(1-piperidinyl)-2-quinolinone IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-fluoro-1-(octan-3-ylamino)-7-piperidin-1-ylquinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-fluoro-7-piperidino-carbostyril Formula: C29H36FN5O MolecularWeight: 489.627443

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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)N5CCCCC5

Isomeric SMILES

CCCCCC(CC)NN1C2=CC(=C(C=C2C=C(C1=O)C3=NC4=CC=CC=C4N3)F)N5CCCCC5

InChI

InChI=1S/C29H36FN5O/c1-3-5-7-12-21(4-2)33-35-26-19-27(34-15-10-6-11-16-34)23(30)18-20(26)17-22(29(35)36)28-31-24-13-8-9-14-25(24)32-28/h8-9,13-14,17-19,21,33H,3-7,10-12,15-16H2,1-2H3,(H,31,32)