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

Systemtic Name: 2-(4-ethoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-p-phenetyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H18N4O MolecularWeight: 342.39382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O/c1-2-26-17-11-9-15(10-12-17)21-23-19-8-4-3-7-18(19)20(24-25-21)16-6-5-13-22-14-16/h3-14,24H,2H2,1H3