(2R)-2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-2-(4-chloro-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: (2R)-2-(4-chloro-3-methylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-chloro-3-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: (2R)-2-(4-chloro-3-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4/c1-14-13-18(7-8-19(14)21)28-15(2)20(25)23-11-9-22(10-12-23)16-3-5-17(6-4-16)24(26)27/h3-8,13,15H,9-12H2,1-2H3/t15-/m1/s1