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

Systemtic Name: ethyl 1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-4-27-21(26)18-11-8-12-23(14-18)20(25)19-15(2)22-24(16(19)3)13-17-9-6-5-7-10-17/h5-7,9-10,18H,4,8,11-14H2,1-3H3