6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanyl-ethyl]-5-chloranyl-3-methyl-1,3-benzoxazol-2-one

Systemtic Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanyl-ethyl]-5-chloranyl-3-methyl-1,3-benzoxazol-2-one Openeye Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-hydroxy-ethyl]-5-chloro-3-methyl-1,3-benzoxazol-2-one CAS Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-hydroxyethyl]-5-chloro-3-methyl-1,3-benzoxazol-2-one IUPAC Name: 6-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-hydroxyethyl]-5-chloro-3-methyl-1,3-benzoxazol-2-one Traditional Name: 5-chloro-6-[1-hydroxy-2-(4-piperonylpiperazino)ethyl]-3-methyl-1,3-benzoxazol-2-one Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O)OC1=O

InChI

InChI=1S/C22H24ClN3O5/c1-24-17-10-16(23)15(9-20(17)31-22(24)28)18(27)12-26-6-4-25(5-7-26)11-14-2-3-19-21(8-14)30-13-29-19/h2-3,8-10,18,27H,4-7,11-13H2,1H3