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

Systemtic Name: 2-(4-tert-butylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-23(2,3)17-5-7-18(8-6-17)31-16-22(27)25-13-11-24(12-14-25)20-10-9-19(30-4)15-21(20)26(28)29/h5-10,15H,11-14,16H2,1-4H3