3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-oxidanyl-pentan-1-one

Systemtic Name: 3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]-3-oxidanyl-pentan-1-one Openeye Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]pentan-1-one CAS Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]pentan-1-one Traditional Name: 3-hydroxy-3-methyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazino]pentan-1-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-4-21(3,27)15-19(26)24-10-12-25(13-11-24)20-22-9-8-18(23-20)28-17-7-5-6-16(2)14-17/h5-9,14,27H,4,10-13,15H2,1-3H3