2-[bis(3-methylbutyl)amino]-1-[2,6-bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol hydrochloride

Systemtic Name: 2-[bis(3-methylbutyl)amino]-1-[2,6-bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol hydrochloride Openeye Name: 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridyl]-2-(diisopentylamino)ethanol hydrochloride CAS Name: 2-[bis(3-methylbutyl)amino]-1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]ethanol hydrochloride IUPAC Name: 2-[bis(3-methylbutyl)amino]-1-[2,6-bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol hydrochloride Traditional Name: 1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridyl]-2-(diisoamylamino)ethanol hydrochloride Formula: C31H37ClF6N2O MolecularWeight: 603.081699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)CC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl

Isomeric SMILES

CC(C)CCN(CCC(C)C)CC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl

InChI

InChI=1S/C31H36F6N2O.ClH/c1-20(2)13-15-39(16-14-21(3)4)19-29(40)24-17-27(22-5-9-25(10-6-22)30(32,33)34)38-28(18-24)23-7-11-26(12-8-23)31(35,36)37;/h5-12,17-18,20-21,29,40H,13-16,19H2,1-4H3;1H