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

Systemtic Name: N-[(4-methylphenyl)methyl]-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 3-oxo-2-phenyl-5-propyl-N-(p-tolylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 3-keto-N-(4-methylbenzyl)-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C24H24N4O2/c1-3-13-27-15-20(23(29)25-14-18-11-9-17(2)10-12-18)22-21(16-27)24(30)28(26-22)19-7-5-4-6-8-19/h4-12,15-16H,3,13-14H2,1-2H3,(H,25,29)/p+1