2-(1,3-benzodioxol-5-yl)-1,4-diazepane

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1,4-diazepane Openeye Name: 2-(1,3-benzodioxol-5-yl)-1,4-diazepane CAS Name: 2-(1,3-benzodioxol-5-yl)-1,4-diazepane IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1,4-diazepane Traditional Name: 2-(1,3-benzodioxol-5-yl)-1,4-diazepane Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(NC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CNCC(NC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H16N2O2/c1-4-13-7-10(14-5-1)9-2-3-11-12(6-9)16-8-15-11/h2-3,6,10,13-14H,1,4-5,7-8H2