ethyl 4-[(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-ethyl-3-keto-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H26N5O4+ MolecularWeight: 424.47294

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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)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CC[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C22H25N5O4/c1-3-24-14-17(20(28)25-10-12-26(13-11-25)22(30)31-4-2)19-18(15-24)21(29)27(23-19)16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3/p+1