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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C27H32N2O3 MolecularWeight: 432.55458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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