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

Systemtic Name: 1-[1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(3,4-diethoxyphenyl)pyrrolidin-2-yl]ethanone Openeye Name: 1-[1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(3,4-diethoxyphenyl)pyrrolidin-2-yl]ethanone CAS Name: 1-[1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexyl-1-piperazinyl)ethyl]-3-(3,4-diethoxyphenyl)-2-pyrrolidinyl]ethanone IUPAC Name: 1-[1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-3-(3,4-diethoxyphenyl)pyrrolidin-2-yl]ethanone Traditional Name: 1-[1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(4-cyclohexylpiperazino)ethyl]-3-(3,4-diethoxyphenyl)pyrrolidin-2-yl]ethanone Formula: C36H47F6N3O3 MolecularWeight: 683.767099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2(CCN(C2C(=O)C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CCN(CC4)C5CCCCC5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2(CCN(C2C(=O)C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CCN(CC4)C5CCCCC5)OCC

InChI

InChI=1S/C36H47F6N3O3/c1-4-47-31-12-11-26(24-32(31)48-5-2)34(13-15-43-17-19-44(20-18-43)29-9-7-6-8-10-29)14-16-45(33(34)25(3)46)30-22-27(35(37,38)39)21-28(23-30)36(40,41)42/h11-12,21-24,29,33H,4-10,13-20H2,1-3H3