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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

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