1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(homoveratrylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N4O5/c1-16(27)24-10-12-25(13-11-24)18-5-6-20(26(28)29)19(15-18)23-9-8-17-4-7-21(30-2)22(14-17)31-3/h4-7,14-15,23H,8-13H2,1-3H3