2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-methyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-methyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-methyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-methyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-7-methyl-4H-1,3,4-benzotriazepine Traditional Name: 5-[4-(4-methoxyphenyl)phenyl]-7-methyl-2-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C30H27N3O2 MolecularWeight: 461.55428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=C(C=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H27N3O2/c1-4-35-26-16-12-24(13-17-26)30-31-28-18-5-20(2)19-27(28)29(32-33-30)23-8-6-21(7-9-23)22-10-14-25(34-3)15-11-22/h5-19,32H,4H2,1-3H3