N-[2-(azepan-1-yl)propyl]-2-(dimethylamino)-5-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-yl)propyl]-2-(dimethylamino)-5-nitro-benzamide Openeye Name: N-[2-(azepan-1-yl)propyl]-2-(dimethylamino)-5-nitro-benzamide CAS Name: N-[2-(1-azepanyl)propyl]-2-(dimethylamino)-5-nitrobenzamide IUPAC Name: N-[2-(azepan-1-yl)propyl]-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-[2-(azepan-1-yl)propyl]-2-(dimethylamino)-5-nitro-benzamide Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)C)N2CCCCCC2

Isomeric SMILES

CC(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)C)N2CCCCCC2

InChI

InChI=1S/C18H28N4O3/c1-14(21-10-6-4-5-7-11-21)13-19-18(23)16-12-15(22(24)25)8-9-17(16)20(2)3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,19,23)