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

Systemtic Name: N-(3-bromophenyl)-5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(3-bromophenyl)-5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(3-bromophenyl)-5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(3-bromophenyl)-5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(3-bromophenyl)-5-ethyl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C21H18BrN4O2+ MolecularWeight: 438.29722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O2/c1-2-25-12-17(20(27)23-15-8-6-7-14(22)11-15)19-18(13-25)21(28)26(24-19)16-9-4-3-5-10-16/h3-13H,2H2,1H3,(H,23,27)/p+1