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

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate CAS Name: 1-[2-(4-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]nipecotic acid ethyl ester Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=CC(=NC3=CC(=NN32)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H23ClN4O2/c1-3-28-21(27)16-5-4-10-25(13-16)20-11-14(2)23-19-12-18(24-26(19)20)15-6-8-17(22)9-7-15/h6-9,11-12,16H,3-5,10,13H2,1-2H3