1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(o-phenetyl)methyl]-1,4-diazepane Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C21H26N2O3/c1-2-24-18-7-4-3-6-17(18)21(23-12-5-10-22-11-13-23)16-8-9-19-20(14-16)26-15-25-19/h3-4,6-9,14,21-22H,2,5,10-13,15H2,1H3