N-[3-azanyl-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide

Systemtic Name: N-[3-azanyl-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-oxo-propyl]-2,5-dimethoxy-benzamide CAS Name: N-[3-amino-1-[4-(1-azepanyl)-3-nitrophenyl]-3-oxopropyl]-2,5-dimethoxybenzamide IUPAC Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitrophenyl]-3-oxopropyl]-2,5-dimethoxybenzamide Traditional Name: N-[3-amino-1-[4-(azepan-1-yl)-3-nitro-phenyl]-3-keto-propyl]-2,5-dimethoxy-benzamide Formula: C24H30N4O6 MolecularWeight: 470.5182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O6/c1-33-17-8-10-22(34-2)18(14-17)24(30)26-19(15-23(25)29)16-7-9-20(21(13-16)28(31)32)27-11-5-3-4-6-12-27/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H2,25,29)(H,26,30)