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

Systemtic Name: 5-(4-ethoxyphenyl)-7-fluoranyl-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-fluoro-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-fluoro-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-fluoro-2-(4-methylphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-p-phenetyl-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C23H20FN3O MolecularWeight: 373.422803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN3O/c1-3-28-19-11-8-16(9-12-19)22-20-14-18(24)10-13-21(20)25-23(27-26-22)17-6-4-15(2)5-7-17/h4-14,26H,3H2,1-2H3