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

Systemtic Name: (2R)-2-(3-methyl-4-nitro-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one CAS Name: (2R)-2-(3-methyl-4-nitrophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-1-yl)-2-(3-methyl-4-nitrophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazino)-2-(3-methyl-4-nitro-phenoxy)propan-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@H](C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-16-14-19(8-9-20(16)24(26)27)28-17(2)21(25)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m1/s1