2-(4-methoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-methoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C28H23N3O2 MolecularWeight: 433.50112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC=CC4=NC(=NN3)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=CC=CC4=NC(=NN3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H23N3O2/c1-32-23-15-11-20(12-16-23)19-7-9-21(10-8-19)27-25-5-3-4-6-26(25)29-28(31-30-27)22-13-17-24(33-2)18-14-22/h3-18,30H,1-2H3