2-(5-methyl-2-nitro-phenoxy)-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-nitro-phenoxy)-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone Openeye Name: 2-(5-methyl-2-nitro-phenoxy)-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone CAS Name: 2-(5-methyl-2-nitrophenoxy)-1-[4-[(1S)-1-phenylethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(5-methyl-2-nitrophenoxy)-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone Traditional Name: 2-(5-methyl-2-nitro-phenoxy)-1-[4-[(1S)-1-phenylethyl]piperazino]ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-16-8-9-19(24(26)27)20(14-16)28-15-21(25)23-12-10-22(11-13-23)17(2)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m0/s1