3-(1H-benzimidazol-2-yl)-1-(1,2-dihydroquinolin-7-yl)-6-fluoranyl-4-(octan-3-ylamino)-2-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-(1,2-dihydroquinolin-7-yl)-6-fluoranyl-4-(octan-3-ylamino)-2-oxidanylidene-piperidine-3-carboxamide Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(1,2-dihydroquinolin-7-yl)-4-(1-ethylhexylamino)-6-fluoro-2-oxo-piperidine-3-carboxamide CAS Name: 3-(1H-benzimidazol-2-yl)-1-(1,2-dihydroquinolin-7-yl)-6-fluoro-4-(octan-3-ylamino)-2-oxo-3-piperidinecarboxamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-(1,2-dihydroquinolin-7-yl)-6-fluoro-4-(octan-3-ylamino)-2-oxopiperidine-3-carboxamide Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1,2-dihydroquinolin-7-yl)-4-(1-ethylhexylamino)-6-fluoro-2-keto-nipecotamide Formula: C30H37FN6O2 MolecularWeight: 532.652183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC1CC(N(C(=O)C1(C2=NC3=CC=CC=C3N2)C(=O)N)C4=CC5=C(C=CCN5)C=C4)F

Isomeric SMILES

CCCCCC(CC)NC1CC(N(C(=O)C1(C2=NC3=CC=CC=C3N2)C(=O)N)C4=CC5=C(C=CCN5)C=C4)F

InChI

InChI=1S/C30H37FN6O2/c1-3-5-6-11-20(4-2)34-25-18-26(31)37(21-15-14-19-10-9-16-33-24(19)17-21)29(39)30(25,27(32)38)28-35-22-12-7-8-13-23(22)36-28/h7-10,12-15,17,20,25-26,33-34H,3-6,11,16,18H2,1-2H3,(H2,32,38)(H,35,36)