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

Systemtic Name: 7-fluoranyl-2-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-2-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-2-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-2-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-2-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C20H12F4N4 MolecularWeight: 384.329693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12F4N4/c21-15-4-5-17-16(11-15)18(13-2-1-3-14(10-13)20(22,23)24)27-28-19(26-17)12-6-8-25-9-7-12/h1-11,27H