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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-3-13(2)18-17(21)14-8-9-15(16(12-14)20(22)23)19-10-6-4-5-7-11-19/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,18,21)