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

Systemtic Name: 5-ethyl-N-(3-methylbutyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 5-ethyl-N-isopentyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: 5-ethyl-N-(3-methylbutyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: 5-ethyl-N-(3-methylbutyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 5-ethyl-N-isoamyl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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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)NCCC(C)C

Isomeric SMILES

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C20H24N4O2/c1-4-23-12-16(19(25)21-11-10-14(2)3)18-17(13-23)20(26)24(22-18)15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,21,25)/p+1