1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

Systemtic Name: 1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Openeye Name: 2-(4-isopropylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-2-(4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Traditional Name: 2-(4-isopropylphenoxy)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]ethanone Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-16(2)17-4-6-18(7-5-17)30-15-22(26)24-12-10-23(11-13-24)20-9-8-19(29-3)14-21(20)25(27)28/h4-9,14,16H,10-13,15H2,1-3H3