[3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[2-[3-(fluoranylmethyl)morpholin-4-yl]ethyl]piperazin-1-yl]methanone dihydrochloride

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[2-[3-(fluoranylmethyl)morpholin-4-yl]ethyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[2-[3-(fluoromethyl)morpholin-4-yl]ethyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[2-[3-(fluoromethyl)-4-morpholinyl]ethyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]-4-[2-[3-(fluoromethyl)morpholin-4-yl]ethyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(3,4-dimethylbenzyl)-4-[2-[3-(fluoromethyl)morpholino]ethyl]piperazino]methanone dihydrochloride Formula: C29H36Cl2F7N3O2 MolecularWeight: 662.509862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CCOCC4CF)C.Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CCN4CCOCC4CF)C.Cl.Cl

InChI

InChI=1S/C29H34F7N3O2.2ClH/c1-19-3-4-21(11-20(19)2)12-25-17-37(5-7-38-9-10-41-18-26(38)16-30)6-8-39(25)27(40)22-13-23(28(31,32)33)15-24(14-22)29(34,35)36;;/h3-4,11,13-15,25-26H,5-10,12,16-18H2,1-2H3;2*1H