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

Systemtic Name: 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-2-(p-tolyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-2-(4-methylphenyl)-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-p-phenetyl-2-(p-tolyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C27H23N3O MolecularWeight: 405.49102

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O/c1-3-31-22-15-12-20(13-16-22)25-24-17-14-19-6-4-5-7-23(19)26(24)28-27(30-29-25)21-10-8-18(2)9-11-21/h4-17,29H,3H2,1-2H3