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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-fluoranyl-3-oxidanyl-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-fluoro-3-hydroxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethyl-4-morpholinyl)but-2-ynyl]-2-[(4-fluoro-3-hydroxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-fluoro-3-hydroxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[4-(3,3-dimethylmorpholino)but-2-ynyl]-2-(4-fluoro-3-hydroxy-benzyl)piperazino]methanone Formula: C30H32F7N3O3 MolecularWeight: 615.582202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CC(=C(C=C3)F)O)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CC(=C(C=C3)F)O)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C30H32F7N3O3/c1-28(2)19-43-12-11-39(28)8-4-3-7-38-9-10-40(24(18-38)13-20-5-6-25(31)26(41)14-20)27(42)21-15-22(29(32,33)34)17-23(16-21)30(35,36)37/h5-6,14-17,24,41H,7-13,18-19H2,1-2H3