ethyl 1-[1-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C18H24ClN5O3 MolecularWeight: 393.86786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C18H24ClN5O3/c1-4-27-18(26)14-5-8-22(9-6-14)17(25)15-7-10-23(21-15)11-24-13(3)16(19)12(2)20-24/h7,10,14H,4-6,8-9,11H2,1-3H3