ethyl 1-[1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-methyl-5-(2,4,6-trimethylphenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-(5-mesityl-1-methyl-pyrazole-3-carbonyl)nipecotic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=C2)C3=C(C=C(C=C3C)C)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=C2)C3=C(C=C(C=C3C)C)C)C

InChI

InChI=1S/C22H29N3O3/c1-6-28-22(27)17-8-7-9-25(13-17)21(26)18-12-19(24(5)23-18)20-15(3)10-14(2)11-16(20)4/h10-12,17H,6-9,13H2,1-5H3