5-(3,4-dimethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H18N4O2 MolecularWeight: 358.39322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CN=CC=C4)OC

InChI

InChI=1S/C21H18N4O2/c1-26-18-10-9-14(12-19(18)27-2)20-16-7-3-4-8-17(16)23-21(25-24-20)15-6-5-11-22-13-15/h3-13,24H,1-2H3