tert-butyl 4-[2-(4-chlorophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O3/c1-22(2,3)30-21(29)26-10-8-15(9-11-26)17-13-20(28)27-19(24-17)12-18(25-27)14-4-6-16(23)7-5-14/h4-7,12-13,15,25H,8-11H2,1-3H3