2-(4-bromophenyl)-5-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-(4-methoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C25H18BrN3O MolecularWeight: 456.33392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=C(C=C5)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H18BrN3O/c1-30-20-13-8-17(9-14-20)23-22-15-10-16-4-2-3-5-21(16)24(22)27-25(29-28-23)18-6-11-19(26)12-7-18/h2-15,28H,1H3