azepan-1-yl-[1-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(3,4,5-trimethoxy-2-nitro-benzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(3,4,5-trimethoxy-2-nitrobenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(3,4,5-trimethoxy-2-nitro-benzoyl)-4-piperidyl]methanone Formula: C22H31N3O7 MolecularWeight: 449.49744

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O7/c1-30-17-14-16(18(25(28)29)20(32-3)19(17)31-2)22(27)24-12-8-15(9-13-24)21(26)23-10-6-4-5-7-11-23/h14-15H,4-13H2,1-3H3