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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)C)OCC

InChI

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