[3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-[(4-fluoro-3-methoxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxy-1-pyrrolidinyl)ethyl]-2-[(4-fluoro-3-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidino)ethyl]-2-(4-fluoro-3-methoxy-benzyl)piperazino]methanone Formula: C29H34F7N3O4 MolecularWeight: 621.586782

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC1OC)CCN2CCN(C(C2)CC3=CC(=C(C=C3)F)OC)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1CN(CC1OC)CCN2CCN(C(C2)CC3=CC(=C(C=C3)F)OC)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H34F7N3O4/c1-41-24-11-18(4-5-23(24)30)10-22-15-37(6-7-38-16-25(42-2)26(17-38)43-3)8-9-39(22)27(40)19-12-20(28(31,32)33)14-21(13-19)29(34,35)36/h4-5,11-14,22,25-26H,6-10,15-17H2,1-3H3