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

Systemtic Name: 2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[1-(3,4-dichlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H22Cl2N6O MolecularWeight: 445.34498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N6O/c1-14-17(15(2)29(26-14)16-4-5-18(22)19(23)12-16)13-20(30)27-8-10-28(11-9-27)21-24-6-3-7-25-21/h3-7,12H,8-11,13H2,1-2H3