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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN3O3/c18-13-6-4-12(5-7-13)14-10-15(20-19-14)17(23)24-11-16(22)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,11H2,(H,19,20)