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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 5-[(4-fluorophenyl)methyl]-N-isopentyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: 5-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: 5-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 5-(4-fluorobenzyl)-N-isoamyl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C25H26FN4O2+ MolecularWeight: 433.497943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C2C(=C[N+](=C1)CC3=CC=C(C=C3)F)C(=O)N(N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCNC(=O)C1=C2C(=C[N+](=C1)CC3=CC=C(C=C3)F)C(=O)N(N2)C4=CC=CC=C4

InChI

InChI=1S/C25H25FN4O2/c1-17(2)12-13-27-24(31)21-15-29(14-18-8-10-19(26)11-9-18)16-22-23(21)28-30(25(22)32)20-6-4-3-5-7-20/h3-11,15-17H,12-14H2,1-2H3,(H,27,31)/p+1