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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-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=CN=CC=C3)N4CCCNCC4

Isomeric SMILES

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

InChI

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