1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone

Systemtic Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone Openeye Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone CAS Name: 1-[4-[(4-nitrophenyl)methyl]-1-piperazinyl]-2-(3,4,5-trimethoxyphenoxy)ethanone IUPAC Name: 1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone Traditional Name: 1-[4-(4-nitrobenzyl)piperazino]-2-(3,4,5-trimethoxyphenoxy)ethanone Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7/c1-29-19-12-18(13-20(30-2)22(19)31-3)32-15-21(26)24-10-8-23(9-11-24)14-16-4-6-17(7-5-16)25(27)28/h4-7,12-13H,8-11,14-15H2,1-3H3