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

Systemtic Name: N-(2-bromophenyl)-7-(2-methylphenoxy)-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-amine Openeye Name: N-(2-bromophenyl)-7-(2-methylphenoxy)-4-(p-tolyl)-3H-1,5-benzodiazepin-2-amine CAS Name: N-(2-bromophenyl)-7-(2-methylphenoxy)-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-amine IUPAC Name: N-(2-bromophenyl)-7-(2-methylphenoxy)-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-amine Traditional Name: (2-bromophenyl)-[7-(2-methylphenoxy)-4-(p-tolyl)-3H-1,5-benzodiazepin-2-yl]amine Formula: C29H24BrN3O MolecularWeight: 510.42436

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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=CC=C5Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC4=CC=CC=C4C)N=C(C2)NC5=CC=CC=C5Br

InChI

InChI=1S/C29H24BrN3O/c1-19-11-13-21(14-12-19)26-18-29(32-24-9-5-4-8-23(24)30)33-25-16-15-22(17-27(25)31-26)34-28-10-6-3-7-20(28)2/h3-17H,18H2,1-2H3,(H,32,33)