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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)CN3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)CN3C=CC=N3

InChI

InChI=1S/C17H17N5O3/c23-16(6-10-22-15(17(24)25)5-8-19-22)20-14-4-1-3-13(11-14)12-21-9-2-7-18-21/h1-5,7-9,11H,6,10,12H2,(H,20,23)(H,24,25)