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

Systemtic Name: ethyl 1-[1-(3,4-dichlorophenyl)-5-methyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3,4-dichlorophenyl)-5-methyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3,4-dichlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3,4-dichlorophenyl)-5-methyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C19H21Cl2N3O3 MolecularWeight: 410.29434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C19H21Cl2N3O3/c1-3-27-19(26)13-5-4-8-23(11-13)18(25)15-10-22-24(12(15)2)14-6-7-16(20)17(21)9-14/h6-7,9-10,13H,3-5,8,11H2,1-2H3