3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O2/c1-17-21(18(2)29(26-17)19-6-4-7-20(16-19)31-3)8-9-22(30)27-12-14-28(15-13-27)23-24-10-5-11-25-23/h4-7,10-11,16H,8-9,12-15H2,1-3H3