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

Systemtic Name: 4-(azepan-1-yl)-N-(2-methylbutan-2-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(1,1-dimethylpropyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-methylbutan-2-yl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-methylbutan-2-yl)-3-nitrobenzamide Traditional Name: N-tert-amyl-4-(azepan-1-yl)-3-nitro-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-4-18(2,3)19-17(22)14-9-10-15(16(13-14)21(23)24)20-11-7-5-6-8-12-20/h9-10,13H,4-8,11-12H2,1-3H3,(H,19,22)