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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-7-fluoranyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-7-fluoro-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(3,4-dimethoxyphenyl)-7-fluoro-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-fluoro-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-7-fluoro-5-(3-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=NNC(=C3C=C(C=CC3=N2)F)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CN=CC=C4)OC

InChI

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