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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-pentan-3-yl-benzamide Openeye Name: 4-(azepan-1-yl)-N-(1-ethylpropyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-pentan-3-ylbenzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-pentan-3-ylbenzamide Traditional Name: 4-(azepan-1-yl)-N-(1-ethylpropyl)-3-nitro-benzamide Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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