4-(azepan-1-yl)-N-(2-methylpropyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-isobutyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-isobutyl-3-nitro-benzamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-13(2)12-18-17(21)14-7-8-15(16(11-14)20(22)23)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,18,21)