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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-5-methyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-keto-5-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C21H18ClN4O3+ MolecularWeight: 409.84562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O3/c1-25-11-15(20(27)23-17-10-13(22)8-9-18(17)29-2)19-16(12-25)21(28)26(24-19)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,27)/p+1