1-[(3,4-dimethoxyphenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazine Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-veratryl-piperazine Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

InChI

InChI=1S/C22H27N3O6/c1-28-20-4-3-16(9-21(20)29-2)12-23-5-7-24(8-6-23)13-17-10-19(25(26)27)11-18-14-30-15-31-22(17)18/h3-4,9-11H,5-8,12-15H2,1-2H3