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

Systemtic Name: 5-(3,4-diethoxyphenyl)-7-fluoranyl-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-diethoxyphenyl)-7-fluoro-2-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C23H21FN4O2 MolecularWeight: 404.436843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CN=CC=C4)F)OCC

InChI

InChI=1S/C23H21FN4O2/c1-3-29-20-10-7-15(12-21(20)30-4-2)22-18-13-17(24)8-9-19(18)26-23(28-27-22)16-6-5-11-25-14-16/h5-14,27H,3-4H2,1-2H3