4-[3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)butan-1-one Openeye Name: 4-[3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)butan-1-one CAS Name: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1-piperazinyl)-1-butanone IUPAC Name: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazin-1-yl)butan-1-one Traditional Name: 4-[3-(3-bromo-5-ethoxy-4-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperazino)butan-1-one Formula: C20H27BrN4O4 MolecularWeight: 467.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2=NOC(=N2)CCCC(=O)N3CCN(CC3)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2=NOC(=N2)CCCC(=O)N3CCN(CC3)C)Br)OC

InChI

InChI=1S/C20H27BrN4O4/c1-4-28-16-13-14(12-15(21)19(16)27-3)20-22-17(29-23-20)6-5-7-18(26)25-10-8-24(2)9-11-25/h12-13H,4-11H2,1-3H3