[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate

Systemtic Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1,5-dimethylpyrazole-4-carboxylate Openeye Name: [2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl] 1,5-dimethylpyrazole-4-carboxylate CAS Name: 1,5-dimethyl-4-pyrazolecarboxylic acid [2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate Traditional Name: 1,5-dimethylpyrazole-4-carboxylic acid [2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl] ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=C(N(N=C3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC(=O)C3=C(N(N=C3)C)C

InChI

InChI=1S/C20H26N4O3/c1-15-5-4-6-17(11-15)13-23-7-9-24(10-8-23)19(25)14-27-20(26)18-12-21-22(3)16(18)2/h4-6,11-12H,7-10,13-14H2,1-3H3