2-(5-methyl-2-propan-2-yl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-16(2)20-9-4-17(3)14-21(20)29-15-22(26)24-12-10-23(11-13-24)18-5-7-19(8-6-18)25(27)28/h4-9,14,16H,10-13,15H2,1-3H3