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

Systemtic Name: 3-(4-tert-butylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-tert-butylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-tert-butylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-tert-butylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-tert-butylphenoxy)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H28N4O2/c1-21(2,3)17-5-7-18(8-6-17)27-16-9-19(26)24-12-14-25(15-13-24)20-22-10-4-11-23-20/h4-8,10-11H,9,12-16H2,1-3H3