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

Systemtic Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C20H30N6O MolecularWeight: 370.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H30N6O/c1-15(2)14-26-17(4)18(16(3)23-26)6-7-19(27)24-10-12-25(13-11-24)20-21-8-5-9-22-20/h5,8-9,15H,6-7,10-14H2,1-4H3