(4-pyrrolidin-1-ylcarbonylphenyl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4)C

InChI

InChI=1S/C21H22N4O3/c1-14-18-11-17(12-22-19(18)24(2)23-14)21(27)28-13-15-5-7-16(8-6-15)20(26)25-9-3-4-10-25/h5-8,11-12H,3-4,9-10,13H2,1-2H3