N-(4-chlorophenyl)-7-(2-methylphenoxy)-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-amine

Systemtic Name: N-(4-chlorophenyl)-7-(2-methylphenoxy)-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-amine Openeye Name: N-(4-chlorophenyl)-7-(2-methylphenoxy)-4-(p-tolyl)-3H-1,5-benzodiazepin-2-amine CAS Name: N-(4-chlorophenyl)-7-(2-methylphenoxy)-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-amine IUPAC Name: N-(4-chlorophenyl)-7-(2-methylphenoxy)-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-amine Traditional Name: (4-chlorophenyl)-[7-(2-methylphenoxy)-4-(p-tolyl)-3H-1,5-benzodiazepin-2-yl]amine Formula: C29H24ClN3O MolecularWeight: 465.97336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=CC=C4C)N=C(C2)NC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=CC=C4C)N=C(C2)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H24ClN3O/c1-19-7-9-21(10-8-19)26-18-29(31-23-13-11-22(30)12-14-23)33-25-16-15-24(17-27(25)32-26)34-28-6-4-3-5-20(28)2/h3-17H,18H2,1-2H3,(H,31,33)