2-(3,5-dimethylphenoxy)-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(3-morpholino-4-nitro-phenyl)piperazino]ethanone Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C24H30N4O5/c1-18-13-19(2)15-21(14-18)33-17-24(29)27-7-5-25(6-8-27)20-3-4-22(28(30)31)23(16-20)26-9-11-32-12-10-26/h3-4,13-16H,5-12,17H2,1-2H3