(3S,6R)-3-[2,3-bis(fluoranyl)phenyl]-N-(2-methylpropyl)-6-[[4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]carbonylamino]azepane-1-carboxamide

Systemtic Name: (3S,6R)-3-[2,3-bis(fluoranyl)phenyl]-N-(2-methylpropyl)-6-[[4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]carbonylamino]azepane-1-carboxamide Openeye Name: (3S,6R)-3-(2,3-difluorophenyl)-N-isobutyl-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide CAS Name: (3S,6R)-3-(2,3-difluorophenyl)-N-(2-methylpropyl)-6-[[oxo-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinyl]methyl]amino]-1-azepanecarboxamide IUPAC Name: (3S,6R)-3-(2,3-difluorophenyl)-N-(2-methylpropyl)-6-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide Traditional Name: (3S,6R)-3-(2,3-difluorophenyl)-N-isobutyl-6-[[4-(2-keto-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]azepane-1-carboxamide Formula: C29H37F2N7O3 MolecularWeight: 569.645986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)N1CC(CCC(C1)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=C(C(=CC=C5)F)F

Isomeric SMILES

CC(C)CNC(=O)N1C[C@@H](CC[C@H](C1)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=C(C(=CC=C5)F)F

InChI

InChI=1S/C29H37F2N7O3/c1-18(2)15-33-27(39)37-16-19(22-5-3-6-23(30)25(22)31)8-9-20(17-37)34-28(40)36-13-10-21(11-14-36)38-24-7-4-12-32-26(24)35-29(38)41/h3-7,12,18-21H,8-11,13-17H2,1-2H3,(H,33,39)(H,34,40)(H,32,35,41)/t19-,20-/m1/s1