ethyl 4-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H25ClN4O3 MolecularWeight: 356.8477

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C16H25ClN4O3/c1-5-13(21-12(4)14(17)11(3)18-21)15(22)19-7-9-20(10-8-19)16(23)24-6-2/h13H,5-10H2,1-4H3