ethyl 1-[5-(2,5-dimethylthiophen-3-yl)-2-propyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(2,5-dimethylthiophen-3-yl)-2-propyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2,5-dimethyl-3-thienyl)-2-propyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(2,5-dimethyl-3-thiophenyl)-2-propyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2,5-dimethylthiophen-3-yl)-2-propylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(2,5-dimethyl-3-thienyl)-2-propyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=N1)C2=C(SC(=C2)C)C)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCN1C(=CC(=N1)C2=C(SC(=C2)C)C)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C21H29N3O3S/c1-5-9-24-19(12-18(22-24)17-11-14(3)28-15(17)4)20(25)23-10-7-8-16(13-23)21(26)27-6-2/h11-12,16H,5-10,13H2,1-4H3