[3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-methyl-3-oxidanyl-phenyl)methyl]piperazin-1-yl]methanone dihydrochloride

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-methyl-3-oxidanyl-phenyl)methyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(3-hydroxy-4-methyl-phenyl)methyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethyl-4-morpholinyl)but-2-ynyl]-2-[(3-hydroxy-4-methylphenyl)methyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(3-hydroxy-4-methylphenyl)methyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholino)but-2-ynyl]-2-(3-hydroxy-4-methyl-benzyl)piperazino]methanone dihydrochloride Formula: C31H37Cl2F6N3O3 MolecularWeight: 684.540199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC#CCN4CCOCC4(C)C)O.Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC#CCN4CCOCC4(C)C)O.Cl.Cl

InChI

InChI=1S/C31H35F6N3O3.2ClH/c1-21-6-7-22(15-27(21)41)14-26-19-38(8-4-5-9-39-12-13-43-20-29(39,2)3)10-11-40(26)28(42)23-16-24(30(32,33)34)18-25(17-23)31(35,36)37;;/h6-7,15-18,26,41H,8-14,19-20H2,1-3H3;2*1H