1-[3-oxidanylidene-3-[[4-(pyridin-4-ylmethyl)phenyl]amino]propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-oxidanylidene-3-[[4-(pyridin-4-ylmethyl)phenyl]amino]propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-oxo-3-[4-(4-pyridylmethyl)anilino]propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]propyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-keto-3-[4-(4-pyridylmethyl)anilino]propyl]pyrazole-4-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=C(C=N3)C(=O)O

Isomeric SMILES

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

InChI

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