1-(2,5-dimethylphenoxy)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol CAS Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-nitrophenyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol Traditional Name: 1-(2,5-dimethylphenoxy)-3-[4-(4-nitrophenyl)piperazino]propan-2-ol Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O4/c1-16-3-4-17(2)21(13-16)28-15-20(25)14-22-9-11-23(12-10-22)18-5-7-19(8-6-18)24(26)27/h3-8,13,20,25H,9-12,14-15H2,1-2H3