7-bromanyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-5-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 7-bromo-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 7-bromo-5-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 7-bromo-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 7-bromo-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C11H8BrF3N2O2 MolecularWeight: 337.09263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=CC(=C2)Br)NC1=O)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(C2=C(C=CC(=C2)Br)NC1=O)C(=O)C(F)(F)F

InChI

InChI=1S/C11H8BrF3N2O2/c12-6-1-2-7-8(5-6)17(4-3-9(18)16-7)10(19)11(13,14)15/h1-2,5H,3-4H2,(H,16,18)