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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F)C(F)(F)F

InChI

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