1-methyl-5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[[4-(4-pyridylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[4-(pyridin-4-ylmethyl)anilino]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[4-(4-pyridylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C18H16N4O3/c1-22-16(15(11-20-22)18(24)25)17(23)21-14-4-2-12(3-5-14)10-13-6-8-19-9-7-13/h2-9,11H,10H2,1H3,(H,21,23)(H,24,25)