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

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-benzoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C28H34N2O4 MolecularWeight: 462.58056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4

InChI

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