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

Systemtic Name: 2-(3-tert-butylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-(3-tert-butylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 2-(3-tert-butylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-tert-butylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-(3-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(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=CC(=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC=CC(=C3)C(C)(C)C

InChI

InChI=1S/C21H28N4O2/c1-16(27-18-8-5-7-17(15-18)21(2,3)4)19(26)24-11-13-25(14-12-24)20-22-9-6-10-23-20/h5-10,15-16H,11-14H2,1-4H3