5-(4-butoxyphenyl)-2-phenyl-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-2-phenyl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-phenyl-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-phenyl-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-phenyl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-phenyl-4H-benzo[i][1,3,4]benzotriazepine Formula: C28H25N3O MolecularWeight: 419.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O/c1-2-3-19-32-23-16-13-21(14-17-23)26-25-18-15-20-9-7-8-12-24(20)27(25)29-28(31-30-26)22-10-5-4-6-11-22/h4-18,30H,2-3,19H2,1H3