1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-benzoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4

InChI

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