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

Systemtic Name: 2-(4-ethoxyphenyl)-7-fluoranyl-5-(4-methylphenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-methylphenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-ethoxyphenyl)-7-fluoro-5-(4-methylphenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-fluoro-2-p-phenetyl-5-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C23H21FN3O+ MolecularWeight: 374.430743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)F)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=[NH+]2)F)C4=CC=C(C=C4)C

InChI

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