4-(diphenylmethyl)-2-[(2-methoxy-5-pyridin-3-yl-phenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine trihydrochloride

Systemtic Name: 4-(diphenylmethyl)-2-[(2-methoxy-5-pyridin-3-yl-phenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine trihydrochloride Openeye Name: 4-benzhydryl-2-[[2-methoxy-5-(3-pyridyl)phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine trihydrochloride CAS Name: 4-(diphenylmethyl)-2-[[2-methoxy-5-(3-pyridinyl)phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine trihydrochloride IUPAC Name: 4-benzhydryl-2-[(2-methoxy-5-pyridin-3-ylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine trihydrochloride Traditional Name: 4-benzhydryl-2-[2-methoxy-5-(3-pyridyl)benzyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine trihydrochloride Formula: C33H38Cl3N3O MolecularWeight: 599.03332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=CC=C2)CN3CC4CCCN4C(C3)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=CC=C2)CN3CC4CCCN4C(C3)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl.Cl

InChI

InChI=1S/C33H35N3O.3ClH/c1-37-32-17-16-27(28-14-8-18-34-21-28)20-29(32)22-35-23-30-15-9-19-36(30)31(24-35)33(25-10-4-2-5-11-25)26-12-6-3-7-13-26;;;/h2-8,10-14,16-18,20-21,30-31,33H,9,15,19,22-24H2,1H3;3*1H