ethyl 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxidanylidene-pyrazolo[3,4-b]pyridin-5-yl]propanoate

Systemtic Name: ethyl 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxidanylidene-pyrazolo[3,4-b]pyridin-5-yl]propanoate Openeye Name: ethyl 3-[7-ethyl-3,4-dimethyl-1-(m-tolyl)-6-oxo-pyrazolo[3,4-b]pyridin-5-yl]propanoate CAS Name: 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxo-5-pyrazolo[3,4-b]pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[3,4-b]pyridin-5-yl]propanoate Traditional Name: 3-[7-ethyl-6-keto-3,4-dimethyl-1-(m-tolyl)pyrazolo[3,4-b]pyridin-5-yl]propionic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C1=O)CCC(=O)OCC)C)C(=NN2C3=CC=CC(=C3)C)C

Isomeric SMILES

CCN1C2=C(C(=C(C1=O)CCC(=O)OCC)C)C(=NN2C3=CC=CC(=C3)C)C

InChI

InChI=1S/C22H27N3O3/c1-6-24-21-20(15(4)18(22(24)27)11-12-19(26)28-7-2)16(5)23-25(21)17-10-8-9-14(3)13-17/h8-10,13H,6-7,11-12H2,1-5H3