pentyl 2-(3,4-dimethyl-6-oxidanylidene-1-phenyl-pyrazolo[3,4-b]pyridin-7-yl)ethanoate

Systemtic Name: pentyl 2-(3,4-dimethyl-6-oxidanylidene-1-phenyl-pyrazolo[3,4-b]pyridin-7-yl)ethanoate Openeye Name: pentyl 2-(3,4-dimethyl-6-oxo-1-phenyl-pyrazolo[3,4-b]pyridin-7-yl)acetate CAS Name: 2-(3,4-dimethyl-6-oxo-1-phenyl-7-pyrazolo[3,4-b]pyridinyl)acetic acid pentyl ester IUPAC Name: pentyl 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[3,4-b]pyridin-7-yl)acetate Traditional Name: 2-(6-keto-3,4-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridin-7-yl)acetic acid amyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C(=O)C=C(C2=C1N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCOC(=O)CN1C(=O)C=C(C2=C1N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O3/c1-4-5-9-12-27-19(26)14-23-18(25)13-15(2)20-16(3)22-24(21(20)23)17-10-7-6-8-11-17/h6-8,10-11,13H,4-5,9,12,14H2,1-3H3