3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2/c1-15-3-5-16(6-4-15)19-23-17(28-24-19)7-8-18(27)25-11-13-26(14-12-25)20-21-9-2-10-22-20/h2-6,9-10H,7-8,11-14H2,1H3