[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl-(4-piperonylpiperazino)methanone Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C22H26N2O6/c1-26-18-12-20(28-3)19(27-2)11-16(18)22(25)24-8-6-23(7-9-24)13-15-4-5-17-21(10-15)30-14-29-17/h4-5,10-12H,6-9,13-14H2,1-3H3