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

Systemtic Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 2-(4-bromophenyl)-5-p-phenetyl-4H-benzo[i][1,3,4]benzotriazepine Formula: C26H20BrN3O MolecularWeight: 470.3605

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=C(C=C5)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H20BrN3O/c1-2-31-21-14-9-18(10-15-21)24-23-16-11-17-5-3-4-6-22(17)25(23)28-26(30-29-24)19-7-12-20(27)13-8-19/h3-16,29H,2H2,1H3