7-ethyl-2-(4-methoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethyl-2-(4-methoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-2-(4-methoxyphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-2-(4-methoxyphenyl)-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-2-(4-methoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-2-(4-methoxyphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C22H20N4O MolecularWeight: 356.4204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)OC)C4=CN=CC=C4

InChI

InChI=1S/C22H20N4O/c1-3-15-6-11-20-19(13-15)21(17-5-4-12-23-14-17)25-26-22(24-20)16-7-9-18(27-2)10-8-16/h4-14,25H,3H2,1-2H3