phenyl 4-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: phenyl 4-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazine-1-carboxylate Openeye Name: phenyl 4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylic acid phenyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)N3CCN(CC3)C(=O)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)N3CCN(CC3)C(=O)OC4=CC=CC=C4)C

InChI

InChI=1S/C20H21N5O3/c1-14-17-12-15(13-21-18(17)23(2)22-14)19(26)24-8-10-25(11-9-24)20(27)28-16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3