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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-31-24-12-10-22(18-26(24)32-2)28(30-16-7-14-29-15-17-30)23-11-13-25(27(19-23)33-3)34-20-21-8-5-4-6-9-21/h4-6,8-13,18-19,28-29H,7,14-17,20H2,1-3H3