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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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