ethyl 1-[7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[7-(2-chlorophenyl)-3-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[7-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CC=C4Cl

InChI

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