[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride

Systemtic Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(2-naphthylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [4-[4-(3,3-dimethyl-4-morpholinyl)but-2-ynyl]-2-(2-naphthalenylmethyl)-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(naphthalen-2-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [4-[4-(3,3-dimethylmorpholino)but-2-ynyl]-2-(2-naphthylmethyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C34H40Cl2F3N3O3 MolecularWeight: 666.60091

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CC4=CC=CC=C4C=C3)C(=O)C5=CC(=CC(=C5)OC)C(F)(F)F)C.Cl.Cl

Isomeric SMILES

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CC4=CC=CC=C4C=C3)C(=O)C5=CC(=CC(=C5)OC)C(F)(F)F)C.Cl.Cl

InChI

InChI=1S/C34H38F3N3O3.2ClH/c1-33(2)24-43-17-16-39(33)13-7-6-12-38-14-15-40(32(41)28-20-29(34(35,36)37)22-31(21-28)42-3)30(23-38)19-25-10-11-26-8-4-5-9-27(26)18-25;;/h4-5,8-11,18,20-22,30H,12-17,19,23-24H2,1-3H3;2*1H