azepan-1-yl-[1-[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzoyl]-4-piperidyl]methanone Formula: C21H27F2N3O6 MolecularWeight: 455.452386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C21H27F2N3O6/c1-31-17-12-15(16(26(29)30)13-18(17)32-21(22)23)20(28)25-10-6-14(7-11-25)19(27)24-8-4-2-3-5-9-24/h12-14,21H,2-11H2,1H3