(4-propan-2-ylphenyl)methyl 4-[(1H-pyrazol-4-ylcarbonylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazol-4-ylcarbonylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-isopropylphenyl)methyl 4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[[[oxo(1H-pyrazol-4-yl)methyl]amino]methyl]-1-piperidinecarboxylic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(1H-pyrazole-4-carbonylamino)methyl]piperidine-1-carboxylic acid (4-isopropylbenzyl) ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC(=O)C3=CNN=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)N2CCC(CC2)CNC(=O)C3=CNN=C3

InChI

InChI=1S/C21H28N4O3/c1-15(2)18-5-3-17(4-6-18)14-28-21(27)25-9-7-16(8-10-25)11-22-20(26)19-12-23-24-13-19/h3-6,12-13,15-16H,7-11,14H2,1-2H3,(H,22,26)(H,23,24)