1-[1-oxidanylidene-1-[[3-(pyrazol-1-ylmethyl)phenyl]amino]propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-oxidanylidene-1-[[3-(pyrazol-1-ylmethyl)phenyl]amino]propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-oxo-1-[3-(1-pyrazolylmethyl)anilino]propan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-oxo-1-[3-(pyrazol-1-ylmethyl)anilino]propan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]pyrazole-4-carboxylic acid Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)CN2C=CC=N2)N3C=C(C=N3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)CN2C=CC=N2)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C17H17N5O3/c1-12(22-11-14(9-19-22)17(24)25)16(23)20-15-5-2-4-13(8-15)10-21-7-3-6-18-21/h2-9,11-12H,10H2,1H3,(H,20,23)(H,24,25)