6-(diethoxymethyl)-1-ethyl-5-phenethyl-2H-pyrazolo[3,4-b]pyridin-4-one hydrochloride

Systemtic Name: 6-(diethoxymethyl)-1-ethyl-5-phenethyl-2H-pyrazolo[3,4-b]pyridin-4-one hydrochloride Openeye Name: 6-(diethoxymethyl)-1-ethyl-5-phenethyl-2H-pyrazolo[3,4-b]pyridin-4-one hydrochloride CAS Name: 6-(diethoxymethyl)-1-ethyl-5-phenethyl-2H-pyrazolo[3,4-b]pyridin-4-one hydrochloride IUPAC Name: 6-(diethoxymethyl)-1-ethyl-5-phenethyl-2H-pyrazolo[3,4-b]pyridin-4-one hydrochloride Traditional Name: 6-(diethoxymethyl)-1-ethyl-5-phenethyl-2H-pyrazolo[3,4-b]pyridin-4-one hydrochloride Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=C(C(=O)C2=CN1)CCC3=CC=CC=C3)C(OCC)OCC.Cl

Isomeric SMILES

CCN1C2=NC(=C(C(=O)C2=CN1)CCC3=CC=CC=C3)C(OCC)OCC.Cl

InChI

InChI=1S/C21H27N3O3.ClH/c1-4-24-20-17(14-22-24)19(25)16(13-12-15-10-8-7-9-11-15)18(23-20)21(26-5-2)27-6-3;/h7-11,14,21-22H,4-6,12-13H2,1-3H3;1H