1-[4-[5-methyl-1-(2-methylphenyl)-3-propyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-methyl-1-(2-methylphenyl)-3-propyl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[5-methyl-1-(o-tolyl)-3-propyl-pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[5-methyl-1-(2-methylphenyl)-3-propyl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-methyl-1-(2-methylphenyl)-3-propylpyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-methyl-1-(o-tolyl)-3-propyl-pyrazole-4-carbonyl]piperazino]ethanone Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CCN(CC2)C(=O)C)C)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CCN(CC2)C(=O)C)C)C3=CC=CC=C3C

InChI

InChI=1S/C21H28N4O2/c1-5-8-18-20(21(27)24-13-11-23(12-14-24)17(4)26)16(3)25(22-18)19-10-7-6-9-15(19)2/h6-7,9-10H,5,8,11-14H2,1-4H3