(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O3/c1-13-5-7-14(8-6-13)15-11-16(20-19-15)18(23)24-12-17(22)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,20)