3-[4-[2,5-bis(fluoranyl)phenyl]piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride

Systemtic Name: 3-[4-[2,5-bis(fluoranyl)phenyl]piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride Openeye Name: 3-[4-(2,5-difluorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride CAS Name: 3-[4-(2,5-difluorophenyl)-1-piperazinyl]-1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone hydrochloride IUPAC Name: 3-[4-(2,5-difluorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one hydrochloride Traditional Name: 3-[4-(2,5-difluorophenyl)piperazino]-1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one hydrochloride Formula: C21H23ClF2N6O MolecularWeight: 448.896726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=C(C=CC(=C4)F)F.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=C(C=CC(=C4)F)F.Cl

InChI

InChI=1S/C21H22F2N6O.ClH/c1-15-17(14-26-29(15)21-24-6-2-7-25-21)20(30)5-8-27-9-11-28(12-10-27)19-13-16(22)3-4-18(19)23;/h2-4,6-7,13-14H,5,8-12H2,1H3;1H