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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-chloranyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-chloro-1,3-benzoxazol-2-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-chloro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-chloro-1,3-benzoxazol-2-one Traditional Name: 5-chloro-3-[(4-piperonylpiperazino)methyl]-1,3-benzoxazol-2-one Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=CC(=C5)Cl)OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C5=C(C=CC(=C5)Cl)OC4=O

InChI

InChI=1S/C20H20ClN3O4/c21-15-2-4-17-16(10-15)24(20(25)28-17)12-23-7-5-22(6-8-23)11-14-1-3-18-19(9-14)27-13-26-18/h1-4,9-10H,5-8,11-13H2