7-fluoranyl-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-fluoranyl-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C26H19FN4O MolecularWeight: 422.453663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CN=CC=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CN=CC=C5)F

InChI

InChI=1S/C26H19FN4O/c1-32-22-11-8-18(9-12-22)17-4-6-19(7-5-17)25-23-15-21(27)10-13-24(23)29-26(31-30-25)20-3-2-14-28-16-20/h2-16,30H,1H3