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

Systemtic Name: 4-(diphenylmethyl)-2-[[2-methoxy-5-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine dihydrochloride Openeye Name: 4-benzhydryl-2-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine dihydrochloride CAS Name: 4-(diphenylmethyl)-2-[[2-methoxy-5-[5-(trifluoromethyl)-1-tetrazolyl]phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine dihydrochloride IUPAC Name: 4-benzhydryl-2-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine dihydrochloride Traditional Name: 4-benzhydryl-2-[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine dihydrochloride Formula: C30H33Cl2F3N6O MolecularWeight: 621.52383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN3CC4CCCN4C(C3)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=N2)C(F)(F)F)CN3CC4CCCN4C(C3)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl

InChI

InChI=1S/C30H31F3N6O.2ClH/c1-40-27-15-14-24(39-29(30(31,32)33)34-35-36-39)17-23(27)18-37-19-25-13-8-16-38(25)26(20-37)28(21-9-4-2-5-10-21)22-11-6-3-7-12-22;;/h2-7,9-12,14-15,17,25-26,28H,8,13,16,18-20H2,1H3;2*1H