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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=N3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=N3)N4CCCNCC4

InChI

InChI=1S/C26H31N3O3/c1-30-23-17-21(18-24(31-2)26(23)32-19-20-9-4-3-5-10-20)25(22-11-6-7-13-28-22)29-15-8-12-27-14-16-29/h3-7,9-11,13,17-18,25,27H,8,12,14-16,19H2,1-2H3