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

Systemtic Name: ethyl 1-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4/c1-2-31-22(30)16-8-11-25(12-9-16)19(28)10-13-26-15-23-20-18(21(26)29)14-24-27(20)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3