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

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-ethoxy-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OCC)OCC

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C)C4=CC(=C(C=C4)OCC)OCC

InChI

InChI=1S/C27H29N3O3/c1-5-31-21-13-14-23-22(17-21)26(20-12-15-24(32-6-2)25(16-20)33-7-3)29-30-27(28-23)19-10-8-18(4)9-11-19/h8-17,29H,5-7H2,1-4H3