azepan-1-yl-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: azepan-1-yl-(4-morpholino-3-nitro-phenyl)methanone CAS Name: 1-azepanyl-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: azepan-1-yl-(4-morpholino-3-nitro-phenyl)methanone Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c21-17(19-7-3-1-2-4-8-19)14-5-6-15(16(13-14)20(22)23)18-9-11-24-12-10-18/h5-6,13H,1-4,7-12H2