2-(4-bromophenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C21H16BrN3 MolecularWeight: 390.27584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23-21(25-24-20)16-10-12-17(22)13-11-16/h2-13,24H,1H3