2-[(2-methylpropan-2-yl)oxy]-4,7-bis(trifluoromethyl)-1H-1,3-diazepine

Systemtic Name: 2-[(2-methylpropan-2-yl)oxy]-4,7-bis(trifluoromethyl)-1H-1,3-diazepine Openeye Name: 2-tert-butoxy-4,7-bis(trifluoromethyl)-1H-1,3-diazepine CAS Name: 2-[(2-methylpropan-2-yl)oxy]-4,7-bis(trifluoromethyl)-1H-1,3-diazepine IUPAC Name: 2-[(2-methylpropan-2-yl)oxy]-4,7-bis(trifluoromethyl)-1H-1,3-diazepine Traditional Name: 2-tert-butoxy-4,7-bis(trifluoromethyl)-1H-1,3-diazepine Formula: C11H12F6N2O MolecularWeight: 302.216199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=NC(=CC=C(N1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC1=NC(=CC=C(N1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H12F6N2O/c1-9(2,3)20-8-18-6(10(12,13)14)4-5-7(19-8)11(15,16)17/h4-5H,1-3H3,(H,18,19)