1-[bis(1,3-benzodioxol-5-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]-1,4-diazepane Openeye Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]-1,4-diazepane CAS Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]-1,4-diazepane IUPAC Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]-1,4-diazepane Traditional Name: 1-[bis(1,3-benzodioxol-5-yl)methyl]-1,4-diazepane Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H22N2O4/c1-6-21-7-9-22(8-1)20(14-2-4-16-18(10-14)25-12-23-16)15-3-5-17-19(11-15)26-13-24-17/h2-5,10-11,20-21H,1,6-9,12-13H2