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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-2-yl)-N-[(2-nitro-4-propanoyl-phenyl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-2-yl)-N-[(2-nitro-4-propanoyl-phenyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2-piperazinyl)-N-[[2-nitro-4-(1-oxopropyl)phenyl]methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-2-yl)-N-[(2-nitro-4-propanoylphenyl)methyl]acetamide Traditional Name: 2-(4-methylpiperazin-2-yl)-N-(2-nitro-4-propionyl-benzyl)-N-piperonyl-acetamide Formula: C25H30N4O6 MolecularWeight: 482.5289

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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(CCN4)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CC4CN(CCN4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O6/c1-3-22(30)18-5-6-19(21(11-18)29(32)33)14-28(25(31)12-20-15-27(2)9-8-26-20)13-17-4-7-23-24(10-17)35-16-34-23/h4-7,10-11,20,26H,3,8-9,12-16H2,1-2H3