azepan-1-yl-[3-(azepan-1-ylcarbonyl)-5-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[3-(azepan-1-ylcarbonyl)-5-nitro-phenyl]methanone Openeye Name: [3-(azepane-1-carbonyl)-5-nitro-phenyl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[3-[1-azepanyl(oxo)methyl]-5-nitrophenyl]methanone IUPAC Name: [3-(azepane-1-carbonyl)-5-nitrophenyl]-(azepan-1-yl)methanone Traditional Name: [3-(azepane-1-carbonyl)-5-nitro-phenyl]-(azepan-1-yl)methanone Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)N3CCCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)N3CCCCCC3

InChI

InChI=1S/C20H27N3O4/c24-19(21-9-5-1-2-6-10-21)16-13-17(15-18(14-16)23(26)27)20(25)22-11-7-3-4-8-12-22/h13-15H,1-12H2