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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OC)OC

InChI

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