1-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepane Traditional Name: 1-piperonyl-1,4-diazepane Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CNCCN(C1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H18N2O2/c1-4-14-5-7-15(6-1)9-11-2-3-12-13(8-11)17-10-16-12/h2-3,8,14H,1,4-7,9-10H2