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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=C(C=C4)C)N=C(C2)NC5=CC=CC=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=C(C=C4)C)N=C(C2)NC5=CC=CC=C5Cl

InChI

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