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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

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