(2R)-2-(4-chlorophenyl)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: (2R)-2-(4-chlorophenyl)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: (2R)-2-(4-chlorophenyl)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: (2R)-2-(4-chlorophenyl)-3-methyl-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: (2R)-2-(4-chlorophenyl)-3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-15(2)20(16-3-5-17(22)6-4-16)21(26)24-13-11-23(12-14-24)18-7-9-19(10-8-18)25(27)28/h3-10,15,20H,11-14H2,1-2H3/t20-/m1/s1