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

Systemtic Name: 3-[[4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[4-nitro-7-[2-(3-pyridyl)-1-piperidyl]-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[4-nitro-7-[2-(3-pyridinyl)-1-piperidinyl]-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[4-nitro-7-(2-pyridin-3-ylpiperidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[4-nitro-7-[2-(3-pyridyl)piperidino]benzofurazan-5-yl]amino]propan-1-ol Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C19H22N6O4/c26-10-4-8-21-14-11-16(17-18(23-29-22-17)19(14)25(27)28)24-9-2-1-6-15(24)13-5-3-7-20-12-13/h3,5,7,11-12,15,21,26H,1-2,4,6,8-10H2