7-ethoxy-2-(4-ethoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-2-(4-ethoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-2-p-phenetyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H22N4O2 MolecularWeight: 386.44638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OCC)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OCC)C4=CN=CC=C4

InChI

InChI=1S/C23H22N4O2/c1-3-28-18-9-7-16(8-10-18)23-25-21-12-11-19(29-4-2)14-20(21)22(26-27-23)17-6-5-13-24-15-17/h5-15,26H,3-4H2,1-2H3