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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-pentyl-benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-pentyl-benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-pentylbenzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-4-(azepan-1-yl)-3-nitro-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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