2-[3-oxidanylidene-3-[[4-(pyridin-4-ylmethyl)phenyl]amino]propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-oxidanylidene-3-[[4-(pyridin-4-ylmethyl)phenyl]amino]propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-oxo-3-[4-(4-pyridylmethyl)anilino]propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]propyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]propyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-keto-3-[4-(4-pyridylmethyl)anilino]propyl]pyrazole-3-carboxylic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C19H18N4O3/c24-18(8-12-23-17(19(25)26)7-11-21-23)22-16-3-1-14(2-4-16)13-15-5-9-20-10-6-15/h1-7,9-11H,8,12-13H2,(H,22,24)(H,25,26)