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

Systemtic Name: ethyl 1-[3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoyl]nipecotic acid ethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

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