1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: 1-(2-isopropylphenoxy)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: 1-(2-isopropylphenoxy)-3-[4-(4-nitrophenyl)piperazino]propan-2-ol Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H29N3O4/c1-17(2)21-5-3-4-6-22(21)29-16-20(26)15-23-11-13-24(14-12-23)18-7-9-19(10-8-18)25(27)28/h3-10,17,20,26H,11-16H2,1-2H3