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

Systemtic Name: 5-(4-ethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-p-phenetyl-2-(4-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=C3C=CC=CC3=NC(=NN2)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=NC=C4

InChI

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