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

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H25ClN6O MolecularWeight: 424.9265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CC(=O)N3CCN(CC3)C4=NC=CC=N4)C)Cl

InChI

InChI=1S/C22H25ClN6O/c1-15-5-6-18(13-20(15)23)29-17(3)19(16(2)26-29)14-21(30)27-9-11-28(12-10-27)22-24-7-4-8-25-22/h4-8,13H,9-12,14H2,1-3H3