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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-31-24-12-7-11-22(17-24)27(30-15-8-13-29-14-16-30)23-18-25(32-2)28(26(19-23)33-3)34-20-21-9-5-4-6-10-21/h4-7,9-12,17-19,27,29H,8,13-16,20H2,1-3H3