4-(diphenylmethyl)-2-[[2-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine dihydrochloride Formula: C31H35Cl2F3N6O MolecularWeight: 635.55041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C31H33F3N6O.2ClH/c1-2-41-28-16-15-25(40-30(31(32,33)34)35-36-37-40)18-24(28)19-38-20-26-14-9-17-39(26)27(21-38)29(22-10-5-3-6-11-22)23-12-7-4-8-13-23;;/h3-8,10-13,15-16,18,26-27,29H,2,9,14,17,19-21H2,1H3;2*1H