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

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 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 CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[4-(3-methyl-4-morpholinyl)but-2-ynyl]-1-piperazinyl]methanone 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 Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(3,4-dimethylbenzyl)-4-[4-(3-methylmorpholino)but-2-ynyl]piperazino]methanone Formula: C31H35F6N3O2 MolecularWeight: 595.618919

Click to see the large picture

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

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

InChI

InChI=1S/C31H35F6N3O2/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