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

Systemtic Name: 2-[[4-(diphenylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-[5-(trifluoromethyl)-1,2,3,4-tetrazol-1-yl]phenol dihydrochloride Openeye Name: 2-[(4-benzhydryl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-[5-(trifluoromethyl)tetrazol-1-yl]phenol dihydrochloride CAS Name: 2-[[4-(diphenylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-[5-(trifluoromethyl)-1-tetrazolyl]phenol dihydrochloride IUPAC Name: 2-[(4-benzhydryl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-[5-(trifluoromethyl)tetrazol-1-yl]phenol dihydrochloride Traditional Name: 2-[(4-benzhydryl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-4-[5-(trifluoromethyl)tetrazol-1-yl]phenol dihydrochloride Formula: C29H31Cl2F3N6O MolecularWeight: 607.49725

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC(N2C1)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=C(C=CC(=C5)N6C(=NN=N6)C(F)(F)F)O.Cl.Cl

Isomeric SMILES

C1CC2CN(CC(N2C1)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=C(C=CC(=C5)N6C(=NN=N6)C(F)(F)F)O.Cl.Cl

InChI

InChI=1S/C29H29F3N6O.2ClH/c30-29(31,32)28-33-34-35-38(28)23-13-14-26(39)22(16-23)17-36-18-24-12-7-15-37(24)25(19-36)27(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-6,8-11,13-14,16,24-25,27,39H,7,12,15,17-19H2;2*1H