1-(3-nitrophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol

Systemtic Name: 1-(3-nitrophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: 1-(3-nitrophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol CAS Name: 1-(3-nitrophenoxy)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(3-nitrophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: 1-(3-nitrophenoxy)-3-[4-(2-pyrimidyl)piperazino]propan-2-ol Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O4/c23-15(13-26-16-4-1-3-14(11-16)22(24)25)12-20-7-9-21(10-8-20)17-18-5-2-6-19-17/h1-6,11,15,23H,7-10,12-13H2