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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[4-(3-methylmorpholin-4-yl)but-2-ynyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[4-(3-methylmorpholin-4-yl)but-2-ynyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[4-(3-methyl-4-morpholinyl)but-2-ynyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[4-(3-methylmorpholin-4-yl)but-2-ynyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(3,4-dimethylbenzyl)-4-[4-(3-methylmorpholino)but-2-ynyl]piperazino]methanone dihydrochloride Formula: C31H37Cl2F6N3O2 MolecularWeight: 668.540799

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCCN1CC#CCN2CCN(C(C2)CC3=CC(=C(C=C3)C)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl.Cl

Isomeric SMILES

CC1COCCN1CC#CCN2CCN(C(C2)CC3=CC(=C(C=C3)C)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C31H35F6N3O2.2ClH/c1-21-6-7-24(14-22(21)2)15-28-19-38(8-4-5-9-39-12-13-42-20-23(39)3)10-11-40(28)29(41)25-16-26(30(32,33)34)18-27(17-25)31(35,36)37;;/h6-7,14,16-18,23,28H,8-13,15,19-20H2,1-3H3;2*1H