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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2/c1-21-16-22(2)18-25(17-21)28(30-14-7-12-29-13-15-30)24-10-11-26(27(19-24)31-3)32-20-23-8-5-4-6-9-23/h4-6,8-11,16-19,28-29H,7,12-15,20H2,1-3H3