methyl 6-(2-pyrazol-1-ylethanoylamino)hexanoate

Systemtic Name: methyl 6-(2-pyrazol-1-ylethanoylamino)hexanoate Openeye Name: methyl 6-[(2-pyrazol-1-ylacetyl)amino]hexanoate CAS Name: 6-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-pyrazol-1-ylacetyl)amino]hexanoate Traditional Name: 6-[(2-pyrazol-1-ylacetyl)amino]hexanoic acid methyl ester Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CN1C=CC=N1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CN1C=CC=N1

InChI

InChI=1S/C12H19N3O3/c1-18-12(17)6-3-2-4-7-13-11(16)10-15-9-5-8-14-15/h5,8-9H,2-4,6-7,10H2,1H3,(H,13,16)