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

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(4-fluorobenzyl)-3-keto-5-(2-methoxyethyl)-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C23H22FN4O3+ MolecularWeight: 421.444183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN4O3/c1-31-12-11-27-14-19(22(29)25-13-16-7-9-17(24)10-8-16)21-20(15-27)23(30)28(26-21)18-5-3-2-4-6-18/h2-10,14-15H,11-13H2,1H3,(H,25,29)/p+1