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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H28N2O5 MolecularWeight: 400.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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