[3,5-bis(trifluoromethyl)phenyl]-[4-(3-pyridin-3-ylprop-2-ynyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(3-pyridin-3-ylprop-2-ynyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[3-(3-pyridyl)prop-2-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[3-(3-pyridinyl)prop-2-ynyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(3-pyridin-3-ylprop-2-ynyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[3-(3-pyridyl)prop-2-ynyl]-2-[4-(trifluoromethyl)benzyl]piperazino]methanone Formula: C29H22F9N3O MolecularWeight: 599.490109

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC#CC2=CN=CC=C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(C(CN1CC#CC2=CN=CC=C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H22F9N3O/c30-27(31,32)22-7-5-19(6-8-22)13-25-18-40(10-2-4-20-3-1-9-39-17-20)11-12-41(25)26(42)21-14-23(28(33,34)35)16-24(15-21)29(36,37)38/h1,3,5-9,14-17,25H,10-13,18H2