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

Systemtic Name: 2-(4-ethoxyphenyl)-7-fluoranyl-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(3-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(3-pyridinyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethoxyphenyl)-7-fluoro-5-pyridin-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-2-p-phenetyl-5-(3-pyridyl)-4H-1,3,4-benzotriazepine Formula: C21H17FN4O MolecularWeight: 360.384283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CN=CC=C4

InChI

InChI=1S/C21H17FN4O/c1-2-27-17-8-5-14(6-9-17)21-24-19-10-7-16(22)12-18(19)20(25-26-21)15-4-3-11-23-13-15/h3-13,25H,2H2,1H3