methyl 1-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]isonipecotic acid methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4/c1-30-21(29)15-7-10-24(11-8-15)18(27)9-12-25-14-22-19-17(20(25)28)13-23-26(19)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3