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

Systemtic Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [4-[4-(3,3-dimethyl-4-morpholinyl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [4-[4-(3,3-dimethylmorpholino)but-2-ynyl]-2-(1H-indol-3-ylmethyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C32H39Cl2F3N4O3 MolecularWeight: 655.57827

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)OC)C(F)(F)F)C.Cl.Cl

Isomeric SMILES

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)OC)C(F)(F)F)C.Cl.Cl

InChI

InChI=1S/C32H37F3N4O3.2ClH/c1-31(2)22-42-15-14-38(31)11-7-6-10-37-12-13-39(26(21-37)17-24-20-36-29-9-5-4-8-28(24)29)30(40)23-16-25(32(33,34)35)19-27(18-23)41-3;;/h4-5,8-9,16,18-20,26,36H,10-15,17,21-22H2,1-3H3;2*1H