2-(chloromethyl)-7-phenyl-9-(trifluoromethyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine

Systemtic Name: 2-(chloromethyl)-7-phenyl-9-(trifluoromethyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine Openeye Name: 2-(chloromethyl)-7-phenyl-9-(trifluoromethyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine CAS Name: 2-(chloromethyl)-7-phenyl-9-(trifluoromethyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine IUPAC Name: 2-(chloromethyl)-7-phenyl-9-(trifluoromethyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine Traditional Name: 2-(chloromethyl)-7-phenyl-9-(trifluoromethyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine Formula: C19H14ClF3N4 MolecularWeight: 390.78947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(CN2C3=C(C=C(C=C3)C(F)(F)F)C(=N1)C4=CC=CC=C4)CCl

Isomeric SMILES

C1C2=NN=C(CN2C3=C(C=C(C=C3)C(F)(F)F)C(=N1)C4=CC=CC=C4)CCl

InChI

InChI=1S/C19H14ClF3N4/c20-9-14-11-27-16-7-6-13(19(21,22)23)8-15(16)18(12-4-2-1-3-5-12)24-10-17(27)26-25-14/h1-8H,9-11H2