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

Systemtic Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCC3=NC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCC3=NC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN6O2/c21-16-7-5-15(6-8-16)19-24-17(29-25-19)3-1-4-18(28)26-11-13-27(14-12-26)20-22-9-2-10-23-20/h2,5-10H,1,3-4,11-14H2