ethyl (3R)-1-[5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[5-ethyl-1-(3-fluorophenyl)-3-propyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[5-ethyl-1-(3-fluorophenyl)-3-propylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[5-ethyl-1-(3-fluorophenyl)-3-propyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C23H30FN3O3 MolecularWeight: 415.501003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CCCC(C2)C(=O)OCC)CC)C3=CC(=CC=C3)F

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CCC[C@H](C2)C(=O)OCC)CC)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H30FN3O3/c1-4-9-19-21(20(5-2)27(25-19)18-12-7-11-17(24)14-18)22(28)26-13-8-10-16(15-26)23(29)30-6-3/h7,11-12,14,16H,4-6,8-10,13,15H2,1-3H3/t16-/m1/s1