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

Systemtic Name: azepan-1-yl-[1-(2-methoxy-5-nitro-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-methoxy-5-nitro-benzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(2-methoxy-5-nitrophenyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-methoxy-5-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(2-methoxy-5-nitro-benzoyl)-4-piperidyl]methanone Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-28-18-7-6-16(23(26)27)14-17(18)20(25)22-12-8-15(9-13-22)19(24)21-10-4-2-3-5-11-21/h6-7,14-15H,2-5,8-13H2,1H3