2-ethyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[4-(3-methylphenoxy)-2-pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[4-(3-methylphenoxy)pyrimidin-2-yl]piperazino]butan-1-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-4-17(5-2)20(26)24-11-13-25(14-12-24)21-22-10-9-19(23-21)27-18-8-6-7-16(3)15-18/h6-10,15,17H,4-5,11-14H2,1-3H3