5-tert-butyl-7-(trifluoromethyl)-1H-1,4-diazepine

Systemtic Name: 5-tert-butyl-7-(trifluoromethyl)-1H-1,4-diazepine Openeye Name: 5-tert-butyl-7-(trifluoromethyl)-1H-1,4-diazepine CAS Name: 5-tert-butyl-7-(trifluoromethyl)-1H-1,4-diazepine IUPAC Name: 5-tert-butyl-7-(trifluoromethyl)-1H-1,4-diazepine Traditional Name: 5-tert-butyl-7-(trifluoromethyl)-1H-1,4-diazepine Formula: C10H13F3N2 MolecularWeight: 218.21883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=CNC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC=CNC(=C1)C(F)(F)F

InChI

InChI=1S/C10H13F3N2/c1-9(2,3)7-6-8(10(11,12)13)15-5-4-14-7/h4-6,15H,1-3H3