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

Systemtic Name: ethyl 1-[5-(5-chloranylthiophen-2-yl)-2-propyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(5-chloro-2-thienyl)-2-propyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-2-propyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(5-chlorothiophen-2-yl)-2-propylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(5-chloro-2-thienyl)-2-propyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=N1)C2=CC=C(S2)Cl)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCN1C(=CC(=N1)C2=CC=C(S2)Cl)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C19H24ClN3O3S/c1-3-9-23-15(11-14(21-23)16-7-8-17(20)27-16)18(24)22-10-5-6-13(12-22)19(25)26-4-2/h7-8,11,13H,3-6,9-10,12H2,1-2H3