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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-benzoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C27H32N2O3 MolecularWeight: 432.55458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4)OC

InChI

InChI=1S/C27H32N2O3/c1-30-25-14-13-22(19-26(25)31-2)27(29-17-8-15-28-16-18-29)23-11-6-7-12-24(23)32-20-21-9-4-3-5-10-21/h3-7,9-14,19,27-28H,8,15-18,20H2,1-2H3