1-[(2S,3R)-2,3-bis(2-chloranyl-4-methoxy-phenyl)-4-ethanoyl-piperazin-1-yl]ethanone

Systemtic Name: 1-[(2S,3R)-2,3-bis(2-chloranyl-4-methoxy-phenyl)-4-ethanoyl-piperazin-1-yl]ethanone Openeye Name: 1-[(2S,3R)-4-acetyl-2,3-bis(2-chloro-4-methoxy-phenyl)piperazin-1-yl]ethanone CAS Name: 1-[(2S,3R)-4-acetyl-2,3-bis(2-chloro-4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 1-[(2S,3R)-4-acetyl-2,3-bis(2-chloro-4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 1-[(2S,3R)-4-acetyl-2,3-bis(2-chloro-4-methoxy-phenyl)piperazino]ethanone Formula: C22H24Cl2N2O4 MolecularWeight: 451.34296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1C2=C(C=C(C=C2)OC)Cl)C3=C(C=C(C=C3)OC)Cl)C(=O)C

Isomeric SMILES

CC(=O)N1CCN([C@@H]([C@@H]1C2=C(C=C(C=C2)OC)Cl)C3=C(C=C(C=C3)OC)Cl)C(=O)C

InChI

InChI=1S/C22H24Cl2N2O4/c1-13(27)25-9-10-26(14(2)28)22(18-8-6-16(30-4)12-20(18)24)21(25)17-7-5-15(29-3)11-19(17)23/h5-8,11-12,21-22H,9-10H2,1-4H3/t21-,22+