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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-fluoranyl-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-fluoro-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H17FN4O2 MolecularWeight: 376.383683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=NC=C4)F)OC

InChI

InChI=1S/C21H17FN4O2/c1-27-18-6-3-14(11-19(18)28-2)20-16-12-15(22)4-5-17(16)24-21(26-25-20)13-7-9-23-10-8-13/h3-12,25H,1-2H3