(1R,5S)-3-[4-[5-(6-methoxypyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]butyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane hydrochloride

Systemtic Name: (1R,5S)-3-[4-[5-(6-methoxypyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]butyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane hydrochloride Openeye Name: (1R,5S)-3-[4-[5-(6-methoxy-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl]butyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane hydrochloride CAS Name: (1R,5S)-3-[4-[5-(6-methoxy-3-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]butyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane hydrochloride IUPAC Name: (1R,5S)-3-[4-[5-(6-methoxypyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]butyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane hydrochloride Traditional Name: (1R,5S)-3-[4-[5-(6-methoxy-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl]butyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane hydrochloride Formula: C25H29ClF3N5O MolecularWeight: 507.97887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C2=CN=C(C=C2)OC)CCCCN3CC4CC4(C3)C5=CC=C(C=C5)C(F)(F)F.Cl

Isomeric SMILES

CN1C(=NN=C1C2=CN=C(C=C2)OC)CCCCN3C[C@@H]4C[C@@]4(C3)C5=CC=C(C=C5)C(F)(F)F.Cl

InChI

InChI=1S/C25H28F3N5O.ClH/c1-32-21(30-31-23(32)17-6-11-22(34-2)29-14-17)5-3-4-12-33-15-20-13-24(20,16-33)18-7-9-19(10-8-18)25(26,27)28;/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3;1H/t20-,24+;/m0./s1