2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C25H23ClN6O MolecularWeight: 458.94272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H23ClN6O/c26-21-9-7-19(8-10-21)24-20(18-32(29-24)22-5-2-1-3-6-22)17-23(33)30-13-15-31(16-14-30)25-27-11-4-12-28-25/h1-12,18H,13-17H2