3-(4-cyclohexylpiperazin-1-yl)-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one

Systemtic Name: 3-(4-cyclohexylpiperazin-1-yl)-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one Openeye Name: 3-(4-cyclohexylpiperazin-1-yl)-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one CAS Name: 3-(4-cyclohexyl-1-piperazinyl)-1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone IUPAC Name: 3-(4-cyclohexylpiperazin-1-yl)-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one Traditional Name: 3-(4-cyclohexylpiperazino)-1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4CCCCC4

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C21H30N6O/c1-17-19(16-24-27(17)21-22-9-5-10-23-21)20(28)8-11-25-12-14-26(15-13-25)18-6-3-2-4-7-18/h5,9-10,16,18H,2-4,6-8,11-15H2,1H3