1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]-1,4-diazepane Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=C(C=C3)OCO4)N5CCCNCC5

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=C(C=C3)OCO4)N5CCCNCC5

InChI

InChI=1S/C28H32N2O5/c1-31-25-16-22(17-26(32-2)28(25)33-18-20-7-4-3-5-8-20)27(30-13-6-11-29-12-14-30)21-9-10-23-24(15-21)35-19-34-23/h3-5,7-10,15-17,27,29H,6,11-14,18-19H2,1-2H3