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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3-p-phenetyl-1,2,4-oxadiazol-5-yl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O3/c1-2-29-17-6-4-16(5-7-17)20-24-18(30-25-20)8-9-19(28)26-12-14-27(15-13-26)21-22-10-3-11-23-21/h3-7,10-11H,2,8-9,12-15H2,1H3