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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3/c1-21-10-12-23(13-11-21)27(30-16-7-14-29-15-17-30)24-18-25(31-2)28(26(19-24)32-3)33-20-22-8-5-4-6-9-22/h4-6,8-13,18-19,27,29H,7,14-17,20H2,1-3H3