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

Systemtic Name: 1-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[[4-(1-piperidylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[4-(1-piperidinylmethyl)anilino]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[[4-(piperidin-1-ylmethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[4-(piperidinomethyl)phenyl]carbamoyl]pyrazole-4-carboxylic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C18H22N4O3/c1-21-16(15(11-19-21)18(24)25)17(23)20-14-7-5-13(6-8-14)12-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,23)(H,24,25)