2-(4-tert-butylphenoxy)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]ethanone Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

InChI

InChI=1S/C25H32N4O4/c1-25(2,3)18-4-9-21(10-5-18)33-17-24(30)28-14-12-27(13-15-28)20-8-11-23(29(31)32)22(16-20)26-19-6-7-19/h4-5,8-11,16,19,26H,6-7,12-15,17H2,1-3H3