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

Systemtic Name: 4-chloranyl-2-[(2-methylpropan-2-yl)oxy]-5,7-bis(trifluoromethyl)-1H-1,3-diazepine Openeye Name: 2-tert-butoxy-4-chloro-5,7-bis(trifluoromethyl)-1H-1,3-diazepine CAS Name: 4-chloro-2-[(2-methylpropan-2-yl)oxy]-5,7-bis(trifluoromethyl)-1H-1,3-diazepine IUPAC Name: 4-chloro-2-[(2-methylpropan-2-yl)oxy]-5,7-bis(trifluoromethyl)-1H-1,3-diazepine Traditional Name: 2-tert-butoxy-4-chloro-5,7-bis(trifluoromethyl)-1H-1,3-diazepine Formula: C11H11ClF6N2O MolecularWeight: 336.661259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClF6N2O/c1-9(2,3)21-8-19-6(11(16,17)18)4-5(7(12)20-8)10(13,14)15/h4H,1-3H3,(H,19,20)