2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-benzoxadiazepin-5-one CAS Name: 2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-methyl-4-[3-(trifluoromethyl)benzyl]-1,3,4-benzoxadiazepin-5-one Formula: C17H13F3N2O2 MolecularWeight: 334.29253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C2O1)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C2O1)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2O2/c1-11-21-22(16(23)14-7-2-3-8-15(14)24-11)10-12-5-4-6-13(9-12)17(18,19)20/h2-9H,10H2,1H3