ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H28N4O3/c1-5-28-21(27)24-12-10-23(11-13-24)20(26)19-16(3)22-25(17(19)4)14-18-8-6-15(2)7-9-18/h6-9H,5,10-14H2,1-4H3