3-[[4-nitro-7-(4-pyridin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-nitro-7-(4-pyridin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-[4-(2-pyridyl)piperazin-1-yl]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-[4-(2-pyridinyl)-1-piperazinyl]-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[4-nitro-7-(4-pyridin-2-ylpiperazin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-[4-(2-pyridyl)piperazino]benzofurazan-5-yl]amino]propan-1-ol Formula: C18H21N7O4 MolecularWeight: 399.40384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C18H21N7O4/c26-11-3-6-19-13-12-14(16-17(22-29-21-16)18(13)25(27)28)23-7-9-24(10-8-23)15-4-1-2-5-20-15/h1-2,4-5,12,19,26H,3,6-11H2