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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,5-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,5-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,5-dimethyl-4-morpholinyl)but-2-ynyl]-2-[(3,4-dimethylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,5-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(3,4-dimethylbenzyl)-4-[4-(3,5-dimethylmorpholino)but-2-ynyl]piperazino]methanone Formula: C32H37F6N3O2 MolecularWeight: 609.645499

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Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1CC#CCN2CCN(C(C2)CC3=CC(=C(C=C3)C)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1COCC(N1CC#CCN2CCN(C(C2)CC3=CC(=C(C=C3)C)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C32H37F6N3O2/c1-21-7-8-25(13-22(21)2)14-29-18-39(9-5-6-10-40-23(3)19-43-20-24(40)4)11-12-41(29)30(42)26-15-27(31(33,34)35)17-28(16-26)32(36,37)38/h7-8,13,15-17,23-24,29H,9-12,14,18-20H2,1-4H3