5-(1,4,7-triazonan-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodioxepin-3-ol

Systemtic Name: 5-(1,4,7-triazonan-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodioxepin-3-ol Openeye Name: 5-(1,4,7-triazonan-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodioxepin-3-ol CAS Name: 5-(1,4,7-triazonan-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodioxepin-3-ol IUPAC Name: 5-(1,4,7-triazonan-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodioxepin-3-ol Traditional Name: 5-(1,4,7-triazonan-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodioxepin-3-ol Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN1)CC2C3=CC=CC=C3OCC(O2)O

Isomeric SMILES

C1CNCCN(CCN1)CC2C3=CC=CC=C3OCC(O2)O

InChI

InChI=1S/C16H25N3O3/c20-16-12-21-14-4-2-1-3-13(14)15(22-16)11-19-9-7-17-5-6-18-8-10-19/h1-4,15-18,20H,5-12H2