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

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-methoxypiperidin-1-yl)methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-methoxy-1-piperidyl)methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-(4-methoxy-1-piperidinyl)methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-(4-methoxypiperidin-1-yl)methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-methoxypiperidino)methanone Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4/c1-26-16-8-12-21(13-9-16)19(23)15-6-7-17(18(14-15)22(24)25)20-10-4-2-3-5-11-20/h6-7,14,16H,2-5,8-13H2,1H3