1-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-(o-tolylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[4-(2-methylbenzyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

InChI

InChI=1S/C18H22N4O3/c1-13-5-3-4-6-14(13)12-21-7-9-22(10-8-21)17(23)16-15(18(24)25)11-19-20(16)2/h3-6,11H,7-10,12H2,1-2H3,(H,24,25)