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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]methanone Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)OC

InChI

InChI=1S/C22H25N3O7/c1-29-19-4-3-15(11-20(19)30-2)22(26)24-7-5-23(6-8-24)12-16-9-18(25(27)28)10-17-13-31-14-32-21(16)17/h3-4,9-11H,5-8,12-14H2,1-2H3