4-[(4S)-3-methyl-1-(2-methylphenyl)-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate

Systemtic Name: 4-[(4S)-3-methyl-1-(2-methylphenyl)-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Openeye Name: 4-[(4S)-3-methyl-1-(o-tolyl)-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate CAS Name: 4-[(4S)-3-methyl-1-(2-methylphenyl)-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate IUPAC Name: 4-[(4S)-3-methyl-1-(2-methylphenyl)-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Traditional Name: 4-[(4S)-6-keto-3-methyl-1-(o-tolyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]benzoate Formula: C21H18N3O3- MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=NC(=O)CC(C3=C(N2)C)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C3=NC(=O)C[C@H](C3=C(N2)C)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H19N3O3/c1-12-5-3-4-6-17(12)24-20-19(13(2)23-24)16(11-18(25)22-20)14-7-9-15(10-8-14)21(26)27/h3-10,16,23H,11H2,1-2H3,(H,26,27)/p-1/t16-/m0/s1