[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethoxy-4-oxidanyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,5-dimethoxy-4-oxidanyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hydroxy-3,5-dimethoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone Traditional Name: (4-hydroxy-3,5-dimethoxy-phenyl)-(4-piperonylpiperazino)methanone Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O6/c1-26-18-10-15(11-19(27-2)20(18)24)21(25)23-7-5-22(6-8-23)12-14-3-4-16-17(9-14)29-13-28-16/h3-4,9-11,24H,5-8,12-13H2,1-2H3