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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC1(C(CC(N(C1=O)C2=CC3=C(C=CCN3)C=C2)F)C(=O)N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCC(CC)NC1(C(CC(N(C1=O)C2=CC3=C(C=CCN3)C=C2)F)C(=O)N)C4=NC5=CC=CC=C5N4

InChI

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