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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C23H22ClN4O2+ MolecularWeight: 421.89938

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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)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C23H21ClN4O2/c1-3-11-27-13-18(22(29)25-16-10-9-15(2)20(24)12-16)21-19(14-27)23(30)28(26-21)17-7-5-4-6-8-17/h4-10,12-14H,3,11H2,1-2H3,(H,25,29)/p+1