2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(4-tert-butyl-2-nitrophenoxy)-1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-tert-butyl-2-nitrophenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-tert-butyl-2-nitro-phenoxy)-1-[4-(4-chlorobenzyl)piperazino]ethanone Formula: C23H28ClN3O4 MolecularWeight: 445.93912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H28ClN3O4/c1-23(2,3)18-6-9-21(20(14-18)27(29)30)31-16-22(28)26-12-10-25(11-13-26)15-17-4-7-19(24)8-5-17/h4-9,14H,10-13,15-16H2,1-3H3