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

Systemtic Name: 5-chloranyl-2-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)-1H-1,3-diazepine Openeye Name: 2-tert-butoxy-5-chloro-7-(trifluoromethyl)-1H-1,3-diazepine CAS Name: 5-chloro-2-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)-1H-1,3-diazepine IUPAC Name: 5-chloro-2-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethyl)-1H-1,3-diazepine Traditional Name: 2-tert-butoxy-5-chloro-7-(trifluoromethyl)-1H-1,3-diazepine Formula: C10H12ClF3N2O MolecularWeight: 268.66329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClF3N2O/c1-9(2,3)17-8-15-5-6(11)4-7(16-8)10(12,13)14/h4-5H,1-3H3,(H,15,16)