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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-24-17-6-4-15(12-19(17)25-2)21(23-10-3-8-22-9-11-23)16-5-7-18-20(13-16)27-14-26-18/h4-7,12-13,21-22H,3,8-11,14H2,1-2H3