1-(5-nitro-2-pyrrolidin-1-yl-phenoxy)-3-[3-(phenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-(5-nitro-2-pyrrolidin-1-yl-phenoxy)-3-[3-(phenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(3-benzylpiperazin-1-yl)-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol CAS Name: 1-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-3-[3-(phenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(3-benzylpiperazin-1-yl)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol Traditional Name: 1-(3-benzylpiperazino)-3-(5-nitro-2-pyrrolidino-phenoxy)propan-2-ol Formula: C24H32N4O4 MolecularWeight: 440.53528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])OCC(CN3CCNC(C3)CC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])OCC(CN3CCNC(C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H32N4O4/c29-22(17-26-13-10-25-20(16-26)14-19-6-2-1-3-7-19)18-32-24-15-21(28(30)31)8-9-23(24)27-11-4-5-12-27/h1-3,6-9,15,20,22,25,29H,4-5,10-14,16-18H2