1-[2-[3,4-bis(trifluoromethyl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]ethanone

Systemtic Name: 1-[2-[3,4-bis(trifluoromethyl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]ethanone Openeye Name: 1-[2-[3,4-bis(trifluoromethyl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]ethanone CAS Name: 1-[2-[3,4-bis(trifluoromethyl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1-piperazinyl)ethyl]-2-pyrrolidinyl]ethanone IUPAC Name: 1-[2-[3,4-bis(trifluoromethyl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]ethanone Traditional Name: 1-[2-[3,4-bis(trifluoromethyl)phenyl]-1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazino)ethyl]pyrrolidin-2-yl]ethanone Formula: C34H37F12N3O MolecularWeight: 731.657918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CCN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CCN3CCN(CC3)C4CCCCC4)C5=CC(=C(C=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)C1(C(CCN1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CCN3CCN(CC3)C4CCCCC4)C5=CC(=C(C=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C34H37F12N3O/c1-21(50)30(23-7-8-28(33(41,42)43)29(20-23)34(44,45)46)22(9-11-47-13-15-48(16-14-47)26-5-3-2-4-6-26)10-12-49(30)27-18-24(31(35,36)37)17-25(19-27)32(38,39)40/h7-8,17-20,22,26H,2-6,9-16H2,1H3