(phenylmethyl) 4-[[(5-ethyl-2-methyl-pyrazol-3-yl)carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(5-ethyl-2-methyl-pyrazol-3-yl)carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[(5-ethyl-2-methyl-pyrazole-3-carbonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[(5-ethyl-2-methyl-3-pyrazolyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(5-ethyl-2-methylpyrazole-3-carbonyl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(5-ethyl-2-methyl-pyrazole-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NCC2CCN(CC2)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N4O3/c1-3-18-13-19(24(2)23-18)20(26)22-14-16-9-11-25(12-10-16)21(27)28-15-17-7-5-4-6-8-17/h4-8,13,16H,3,9-12,14-15H2,1-2H3,(H,22,26)