2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H23ClN6O MolecularWeight: 410.89992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23ClN6O/c1-15-19(16(2)28(25-15)18-6-4-17(22)5-7-18)14-20(29)26-10-12-27(13-11-26)21-23-8-3-9-24-21/h3-9H,10-14H2,1-2H3