ethyl (3R)-1-[5-methyl-1-(2-methylphenyl)-3-propyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[5-methyl-1-(2-methylphenyl)-3-propyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[5-methyl-1-(o-tolyl)-3-propyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[5-methyl-1-(2-methylphenyl)-3-propyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[5-methyl-1-(2-methylphenyl)-3-propylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[5-methyl-1-(o-tolyl)-3-propyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CCCC(C2)C(=O)OCC)C)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CCC[C@H](C2)C(=O)OCC)C)C3=CC=CC=C3C

InChI

InChI=1S/C23H31N3O3/c1-5-10-19-21(17(4)26(24-19)20-13-8-7-11-16(20)3)22(27)25-14-9-12-18(15-25)23(28)29-6-2/h7-8,11,13,18H,5-6,9-10,12,14-15H2,1-4H3/t18-/m1/s1