5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-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=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=C(C=C4)C)OCC

Isomeric SMILES

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

InChI

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