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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C22H28N2O5/c1-25-19-12-16(13-20(26-2)22(19)27-3)21(24-9-4-7-23-8-10-24)15-5-6-17-18(11-15)29-14-28-17/h5-6,11-13,21,23H,4,7-10,14H2,1-3H3