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

Systemtic Name: 8-fluoranyl-2-[4-(4-methoxyphenyl)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-2-[4-(4-methoxyphenyl)phenyl]-4-(4-pyridyl)-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-2-[4-(4-methoxyphenyl)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-2-[4-(4-methoxyphenyl)phenyl]-4-pyridin-4-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-2-[4-(4-methoxyphenyl)phenyl]-4-(4-pyridyl)-1H-1,3,5-benzotriazepine Formula: C26H19FN4O MolecularWeight: 422.453663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=C(N3)C=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=C(N3)C=C(C=C4)F)C5=CC=NC=C5

InChI

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