7-fluoranyl-2-(furan-2-yl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 7-fluoranyl-2-(furan-2-yl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-fluoro-2-(2-furyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-fluoro-2-(2-furanyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-fluoro-2-(furan-2-yl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-fluoro-2-(2-furyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C19H15FN3O2+ MolecularWeight: 336.339703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=[NH+]C(=NN2)C4=CC=CO4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=[NH+]C(=NN2)C4=CC=CO4)F

InChI

InChI=1S/C19H14FN3O2/c1-24-14-7-4-12(5-8-14)18-15-11-13(20)6-9-16(15)21-19(23-22-18)17-3-2-10-25-17/h2-11,22H,1H3/p+1