ethyl 5-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 5-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 5-(1-oxidopyridin-1-ium-3-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-oxidopyridin-1-ium-3-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 5-(1-oxidopyridin-1-ium-3-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=C[N+](=CC=C3)[O-])CCCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c1-2-32-24(30)22-20-17-26(23(29)19-11-7-13-27(31)16-19)15-12-21(20)28(25-22)14-6-10-18-8-4-3-5-9-18/h3-5,7-9,11,13,16H,2,6,10,12,14-15,17H2,1H3