3-(1-phenylpyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(1-phenylpyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1-phenylpyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(1-phenyl-4-pyrazolyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1-phenylpyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O/c27-19(24-11-13-25(14-12-24)20-21-9-4-10-22-20)8-7-17-15-23-26(16-17)18-5-2-1-3-6-18/h1-6,9-10,15-16H,7-8,11-14H2