N-[(6S,9R)-6-[2,3-bis(fluoranyl)phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(3-cyclopropyl-6-oxidanylidene-1H-pyridazin-5-yl)piperidine-1-carboxamide

Systemtic Name: N-[(6S,9R)-6-[2,3-bis(fluoranyl)phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(3-cyclopropyl-6-oxidanylidene-1H-pyridazin-5-yl)piperidine-1-carboxamide Openeye Name: 4-(3-cyclopropyl-6-oxo-1H-pyridazin-5-yl)-N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]piperidine-1-carboxamide CAS Name: 4-(3-cyclopropyl-6-oxo-1H-pyridazin-5-yl)-N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1-piperidinecarboxamide IUPAC Name: 4-(3-cyclopropyl-6-oxo-1H-pyridazin-5-yl)-N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]piperidine-1-carboxamide Traditional Name: 4-(3-cyclopropyl-6-keto-1H-pyridazin-5-yl)-N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-9-yl]piperidine-1-carboxamide Formula: C29H31F5N6O2 MolecularWeight: 590.587456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=O)C(=C2)C3CCN(CC3)C(=O)NC4CCC(CN5C4=NC=C5CC(F)(F)F)C6=C(C(=CC=C6)F)F

Isomeric SMILES

C1C[C@H](C2=NC=C(N2C[C@@H]1C3=C(C(=CC=C3)F)F)CC(F)(F)F)NC(=O)N4CCC(CC4)C5=CC(=NNC5=O)C6CC6

InChI

InChI=1S/C29H31F5N6O2/c30-22-3-1-2-20(25(22)31)18-6-7-23(26-35-14-19(40(26)15-18)13-29(32,33)34)36-28(42)39-10-8-16(9-11-39)21-12-24(17-4-5-17)37-38-27(21)41/h1-3,12,14,16-18,23H,4-11,13,15H2,(H,36,42)(H,38,41)/t18-,23-/m1/s1