1-methyl-5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 5-(4-benzylpiperidine-1-carbonyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(4-benzylpiperidine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3/c1-20-16(15(12-19-20)18(23)24)17(22)21-9-7-14(8-10-21)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,23,24)