7-ethoxy-2-(4-ethoxyphenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-2-p-phenetyl-5-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2/c1-4-29-20-12-10-19(11-13-20)25-26-23-15-14-21(30-5-2)16-22(23)24(27-28-25)18-8-6-17(3)7-9-18/h6-16,27H,4-5H2,1-3H3