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

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-methoxyphenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C22H19N3O MolecularWeight: 341.40576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H19N3O/c1-15-7-9-17(10-8-15)22-23-20-6-4-3-5-19(20)21(24-25-22)16-11-13-18(26-2)14-12-16/h3-14,24H,1-2H3