1-[(2,5-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

InChI=1S/C29H36N2O5/c1-32-23-11-12-25(33-2)24(19-23)28(31-15-8-13-30-14-16-31)22-17-26(34-3)29(27(18-22)35-4)36-20-21-9-6-5-7-10-21/h5-7,9-12,17-19,28,30H,8,13-16,20H2,1-4H3