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

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

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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)N4CCCNCC4)OC

Isomeric SMILES

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

InChI

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