N-[6-azanyl-2-(methylamino)hexanoyl]-4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-nitro-benzamide

Systemtic Name: N-[6-azanyl-2-(methylamino)hexanoyl]-4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-nitro-benzamide Openeye Name: N-[6-amino-2-(methylamino)hexanoyl]-4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-nitro-benzamide CAS Name: N-[6-amino-2-(methylamino)-1-oxohexyl]-4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-nitrobenzamide IUPAC Name: N-[6-amino-2-(methylamino)hexanoyl]-4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-nitrobenzamide Traditional Name: N-[6-amino-2-(methylamino)hexanoyl]-3-nitro-4-[(piperonylamino)methyl]benzamide Formula: C23H29N5O6 MolecularWeight: 471.50626

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCCN)C(=O)NC(=O)C1=CC(=C(C=C1)CNCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC(CCCCN)C(=O)NC(=O)C1=CC(=C(C=C1)CNCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O6/c1-25-18(4-2-3-9-24)23(30)27-22(29)16-6-7-17(19(11-16)28(31)32)13-26-12-15-5-8-20-21(10-15)34-14-33-20/h5-8,10-11,18,25-26H,2-4,9,12-14,24H2,1H3,(H,27,29,30)