8-ethoxy-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethoxy-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethoxy-2-phenyl-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethoxy-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethoxy-2-phenyl-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethoxy-2-phenyl-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C21H18N4O MolecularWeight: 342.39382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

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