[3,5-bis(trifluoromethyl)phenyl]-[2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[3-methoxy-4-(trifluoromethyl)benzyl]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazino]methanone Formula: C30H32F9N3O3 MolecularWeight: 653.579009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CC5CCC(C4)O5)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CC5CCC(C4)O5)C(F)(F)F

InChI

InChI=1S/C30H32F9N3O3/c1-44-26-11-18(2-5-25(26)30(37,38)39)10-22-15-40(6-7-41-16-23-3-4-24(17-41)45-23)8-9-42(22)27(43)19-12-20(28(31,32)33)14-21(13-19)29(34,35)36/h2,5,11-14,22-24H,3-4,6-10,15-17H2,1H3