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

Systemtic Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-ethoxyphenyl)-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-5-p-phenetyl-4H-benzo[i][1,3,4]benzotriazepine Formula: C30H29N3O MolecularWeight: 447.57076

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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(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H29N3O/c1-5-34-24-17-12-21(13-18-24)27-26-19-14-20-8-6-7-9-25(20)28(26)31-29(33-32-27)22-10-15-23(16-11-22)30(2,3)4/h6-19,32H,5H2,1-4H3