6-azanyl-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile

Systemtic Name: 6-azanyl-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Openeye Name: 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile CAS Name: 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile IUPAC Name: 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Traditional Name: 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-1-ium-5-carbonitrile Formula: C22H19FN5O2+ MolecularWeight: 404.416963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=NC2=[N+](N1)C3=CC=C(C=C3)F)N)C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C2C(=C(C(=NC2=[N+](N1)C3=CC=C(C=C3)F)N)C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H18FN5O2/c1-12-19-20(13-4-9-17(29-2)18(10-13)30-3)16(11-24)21(25)26-22(19)28(27-12)15-7-5-14(23)6-8-15/h4-10H,1-3H3,(H2,25,26,27)/p+1