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

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-oxidanylidene-2-phenyl-5-(phenylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Openeye Name: 5-benzyl-N-[(4-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-oxo-2-phenyl-5-(phenylmethyl)-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide IUPAC Name: 5-benzyl-N-[(4-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Traditional Name: 5-benzyl-N-(4-chlorobenzyl)-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carboxamide Formula: C27H22ClN4O2+ MolecularWeight: 469.94218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC(=C3C(=C2)C(=O)N(N3)C4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC(=C3C(=C2)C(=O)N(N3)C4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H21ClN4O2/c28-21-13-11-19(12-14-21)15-29-26(33)23-17-31(16-20-7-3-1-4-8-20)18-24-25(23)30-32(27(24)34)22-9-5-2-6-10-22/h1-14,17-18H,15-16H2,(H,29,33)/p+1