N-(1,3-benzodioxol-5-ylmethyl)-2-(1,4-dimethylpiperazin-2-yl)-N-[(2-nitro-4-propanoyl-phenyl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,4-dimethylpiperazin-2-yl)-N-[(2-nitro-4-propanoyl-phenyl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,4-dimethylpiperazin-2-yl)-N-[(2-nitro-4-propanoyl-phenyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,4-dimethyl-2-piperazinyl)-N-[[2-nitro-4-(1-oxopropyl)phenyl]methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,4-dimethylpiperazin-2-yl)-N-[(2-nitro-4-propanoylphenyl)methyl]acetamide Traditional Name: 2-(1,4-dimethylpiperazin-2-yl)-N-(2-nitro-4-propionyl-benzyl)-N-piperonyl-acetamide Formula: C26H32N4O6 MolecularWeight: 496.55548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CC4CN(CCN4C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CC4CN(CCN4C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H32N4O6/c1-4-23(31)19-6-7-20(22(12-19)30(33)34)15-29(14-18-5-8-24-25(11-18)36-17-35-24)26(32)13-21-16-27(2)9-10-28(21)3/h5-8,11-12,21H,4,9-10,13-17H2,1-3H3