3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-5-chloranyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-5-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-5-chloro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-5-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-5-chloro-1,3-benzoxazol-2-one Traditional Name: 5-chloro-3-[4-keto-4-(4-piperonylpiperazino)butyl]-1,3-benzoxazol-2-one Formula: C23H24ClN3O5 MolecularWeight: 457.90676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C5=C(C=CC(=C5)Cl)OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C5=C(C=CC(=C5)Cl)OC4=O

InChI

InChI=1S/C23H24ClN3O5/c24-17-4-6-19-18(13-17)27(23(29)32-19)7-1-2-22(28)26-10-8-25(9-11-26)14-16-3-5-20-21(12-16)31-15-30-20/h3-6,12-13H,1-2,7-11,14-15H2