ethyl 4-(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C3C(=C2Cl)C(=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C3C(=C2Cl)C(=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H22ClN5O3/c1-3-30-21(29)26-11-9-25(10-12-26)20(28)16-13-23-19-17(18(16)22)14(2)24-27(19)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3