4-[(3-pyrazol-1-ylpropanoylamino)methyl]benzoate

Systemtic Name: 4-[(3-pyrazol-1-ylpropanoylamino)methyl]benzoate Openeye Name: 4-[(3-pyrazol-1-ylpropanoylamino)methyl]benzoate CAS Name: 4-[[[1-oxo-3-(1-pyrazolyl)propyl]amino]methyl]benzoate IUPAC Name: 4-[(3-pyrazol-1-ylpropanoylamino)methyl]benzoate Traditional Name: 4-[(3-pyrazol-1-ylpropanoylamino)methyl]benzoate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CN(N=C1)CCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c18-13(6-9-17-8-1-7-16-17)15-10-11-2-4-12(5-3-11)14(19)20/h1-5,7-8H,6,9-10H2,(H,15,18)(H,19,20)/p-1