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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C22H19ClFN4O2+ MolecularWeight: 425.863263

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN4O2/c1-2-10-27-12-16(21(29)25-14-8-9-19(24)18(23)11-14)20-17(13-27)22(30)28(26-20)15-6-4-3-5-7-15/h3-9,11-13H,2,10H2,1H3,(H,25,29)/p+1