1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C21H26N2O4/c1-24-17-5-3-6-18(25-2)20(17)21(23-11-4-9-22-10-12-23)15-7-8-16-19(13-15)27-14-26-16/h3,5-8,13,21-22H,4,9-12,14H2,1-2H3