1-[1-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane

Systemtic Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(4-benzyloxy-3,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(4-benzoxy-3,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(CC3=CC=CC=N3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(CC3=CC=CC=N3)N4CCCNCC4

InChI

InChI=1S/C27H33N3O3/c1-31-25-17-22(18-26(32-2)27(25)33-20-21-9-4-3-5-10-21)24(19-23-11-6-7-13-29-23)30-15-8-12-28-14-16-30/h3-7,9-11,13,17-18,24,28H,8,12,14-16,19-20H2,1-2H3