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

Systemtic Name: N-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-3-oxo-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(4-fluorobenzyl)-3-keto-2-phenyl-5-propyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C23H22FN4O2+ MolecularWeight: 405.444783

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O2/c1-2-12-27-14-19(22(29)25-13-16-8-10-17(24)11-9-16)21-20(15-27)23(30)28(26-21)18-6-4-3-5-7-18/h3-11,14-15H,2,12-13H2,1H3,(H,25,29)/p+1