5-tert-butyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzene-1,2-diol

Systemtic Name: 5-tert-butyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzene-1,2-diol Openeye Name: 5-tert-butyl-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]benzene-1,2-diol CAS Name: 5-tert-butyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]benzene-1,2-diol IUPAC Name: 5-tert-butyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]benzene-1,2-diol Traditional Name: 5-tert-butyl-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]pyrocatechol Formula: C21H26F3N3O2 MolecularWeight: 409.44525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O2/c1-20(2,3)16-10-14(19(29)17(28)11-16)13-26-6-8-27(9-7-26)18-5-4-15(12-25-18)21(22,23)24/h4-5,10-12,28-29H,6-9,13H2,1-3H3