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

Systemtic Name: 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-(m-tolylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[4-(3-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=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C=NN3C)C(=O)O

InChI

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