N-[6-[(9aS)-1,2,4,5,7,8,9,9a-octahydropyrrolo[1,2-d][1,4]diazepin-3-yl]-4-(4-fluoranyl-2-methyl-phenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide

Systemtic Name: N-[6-[(9aS)-1,2,4,5,7,8,9,9a-octahydropyrrolo[1,2-d][1,4]diazepin-3-yl]-4-(4-fluoranyl-2-methyl-phenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide Openeye Name: N-[6-[(9aS)-1,2,4,5,7,8,9,9a-octahydropyrrolo[1,2-d][1,4]diazepin-3-yl]-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide CAS Name: N-[6-[(9aS)-1,2,4,5,7,8,9,9a-octahydropyrrolo[1,2-d][1,4]diazepin-3-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide IUPAC Name: N-[6-[(9aS)-1,2,4,5,7,8,9,9a-octahydropyrrolo[1,2-d][1,4]diazepin-3-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide Traditional Name: N-[6-[(9aS)-1,2,4,5,7,8,9,9a-octahydropyrrolo[1,2-d][1,4]diazepin-3-yl]-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propionamide Formula: C33H35F7N4O MolecularWeight: 636.646022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCC5CCCN5CC4

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[C@@H]5CCCN5CC4

InChI

InChI=1S/C33H35F7N4O/c1-20-14-24(34)7-8-26(20)27-18-29(44-11-9-25-6-5-10-43(25)12-13-44)41-19-28(27)42(4)30(45)31(2,3)21-15-22(32(35,36)37)17-23(16-21)33(38,39)40/h7-8,14-19,25H,5-6,9-13H2,1-4H3/t25-/m0/s1