1-[(2,3-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

InChI

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