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

Systemtic Name: ethyl (3R)-1-[5-methyl-1-(phenylmethyl)-3-propyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(1-benzyl-5-methyl-3-propyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: (3R)-1-[[5-methyl-1-(phenylmethyl)-3-propyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(1-benzyl-5-methyl-3-propylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: (3R)-1-(1-benzyl-5-methyl-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)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CCC[C@H](C2)C(=O)OCC)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-4-10-20-21(17(3)26(24-20)15-18-11-7-6-8-12-18)22(27)25-14-9-13-19(16-25)23(28)29-5-2/h6-8,11-12,19H,4-5,9-10,13-16H2,1-3H3/t19-/m1/s1