[4-[2-(pyridin-3-ylcarbonylamino)ethanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[2-(pyridin-3-ylcarbonylamino)ethanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[[2-(pyridine-3-carbonylamino)acetyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]ethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[[2-(pyridine-3-carbonylamino)acetyl]amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(2-nicotinamidoacetyl)amino]pyrazol-1-yl]methyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CNC(=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H21N5O4/c1-17(2,3)16(25)26-11-22-10-13(8-20-22)21-14(23)9-19-15(24)12-5-4-6-18-7-12/h4-8,10H,9,11H2,1-3H3,(H,19,24)(H,21,23)