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

Systemtic Name: methyl 1-(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylate CAS Name: 1-[(4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonyl)isonipecotic acid methyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCC(CC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCC(CC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O3/c1-13-17-18(22)16(20(27)25-10-8-14(9-11-25)21(28)29-2)12-23-19(17)26(24-13)15-6-4-3-5-7-15/h3-7,12,14H,8-11H2,1-2H3