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

Systemtic Name: ethyl 1-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-3-27-20(26)16-10-7-11-23(13-16)19(25)17-14(2)22-24(18(17)21)12-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3