N-(2,3-dimethylphenyl)-2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperazino]acetamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

InChI=1S/C23H28N4O5/c1-16-4-3-5-21(17(16)2)24-22(28)13-26-8-6-25(7-9-26)12-18-10-20(27(29)30)11-19-14-31-15-32-23(18)19/h3-5,10-11H,6-9,12-15H2,1-2H3,(H,24,28)