4-(diphenylmethyl)-2-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine trihydrochloride

Systemtic Name: 4-(diphenylmethyl)-2-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine trihydrochloride Openeye Name: 4-benzhydryl-2-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine trihydrochloride CAS Name: 4-(diphenylmethyl)-2-[[2-methoxy-5-[5-(trifluoromethyl)-1-tetrazolyl]phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine trihydrochloride IUPAC Name: 4-benzhydryl-2-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine trihydrochloride Traditional Name: 4-benzhydryl-2-[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzyl]-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine trihydrochloride Formula: C30H35Cl3F3N7O MolecularWeight: 672.99941

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN3CC4CNCCN4C(C3)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN3CC4CNCCN4C(C3)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl.Cl

InChI

InChI=1S/C30H32F3N7O.3ClH/c1-41-27-13-12-24(40-29(30(31,32)33)35-36-37-40)16-23(27)18-38-19-25-17-34-14-15-39(25)26(20-38)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22;;;/h2-13,16,25-26,28,34H,14-15,17-20H2,1H3;3*1H