5-(4-chlorophenyl)-7-fluoranyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-chlorophenyl)-7-fluoranyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-chlorophenyl)-7-fluoro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-chlorophenyl)-7-fluoro-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-chlorophenyl)-7-fluoro-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-chlorophenyl)-7-fluoro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C19H12ClFN4 MolecularWeight: 350.776783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClFN4/c20-14-5-3-12(4-6-14)18-16-10-15(21)7-8-17(16)23-19(25-24-18)13-2-1-9-22-11-13/h1-11,24H