(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C20H18ClN5O2/c1-12-16-9-14(10-22-19(16)25(3)23-12)20(27)28-11-17-13(2)24-26(18(17)21)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3