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

Systemtic Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[3-(homoveratrylamino)-4-nitro-phenyl]piperazino]propan-1-one Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5/c1-4-23(28)26-13-11-25(12-14-26)18-6-7-20(27(29)30)19(16-18)24-10-9-17-5-8-21(31-2)22(15-17)32-3/h5-8,15-16,24H,4,9-14H2,1-3H3