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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C29H36N2O3 MolecularWeight: 460.60774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4)C

InChI

InChI=1S/C29H36N2O3/c1-21-15-22(2)17-24(16-21)28(31-13-8-11-30-12-14-31)25-18-26(32-3)29(27(19-25)33-4)34-20-23-9-6-5-7-10-23/h5-7,9-10,15-19,28,30H,8,11-14,20H2,1-4H3