N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 5-ethyl-N-homoveratryl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C25H27N4O4+ MolecularWeight: 447.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H26N4O4/c1-4-28-15-19(23-20(16-28)25(31)29(27-23)18-8-6-5-7-9-18)24(30)26-13-12-17-10-11-21(32-2)22(14-17)33-3/h5-11,14-16H,4,12-13H2,1-3H3,(H,26,30)/p+1