4-[bis(chloranyl)methyl]-2-(4-methylphenyl)-3H-1,5-benzodiazepine

Systemtic Name: 4-[bis(chloranyl)methyl]-2-(4-methylphenyl)-3H-1,5-benzodiazepine Openeye Name: 4-(dichloromethyl)-2-(p-tolyl)-3H-1,5-benzodiazepine CAS Name: 4-(dichloromethyl)-2-(4-methylphenyl)-3H-1,5-benzodiazepine IUPAC Name: 4-(dichloromethyl)-2-(4-methylphenyl)-3H-1,5-benzodiazepine Traditional Name: 4-(dichloromethyl)-2-(p-tolyl)-3H-1,5-benzodiazepine Formula: C17H14Cl2N2 MolecularWeight: 317.21246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)C(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)C(Cl)Cl

InChI

InChI=1S/C17H14Cl2N2/c1-11-6-8-12(9-7-11)15-10-16(17(18)19)21-14-5-3-2-4-13(14)20-15/h2-9,17H,10H2,1H3