5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbonyl-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(4-m-anisylpiperazine-1-carbonyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H22N4O4/c1-20-16(15(11-19-20)18(24)25)17(23)22-8-6-21(7-9-22)12-13-4-3-5-14(10-13)26-2/h3-5,10-11H,6-9,12H2,1-2H3,(H,24,25)