4-(azepan-1-yl)-N-(3-methylbutyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-methylbutyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-isopentyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-methylbutyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-isoamyl-3-nitro-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-14(2)9-10-19-18(22)15-7-8-16(17(13-15)21(23)24)20-11-5-3-4-6-12-20/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,22)