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

Systemtic Name: 1-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(4-benzoxy-3-methoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-30-26-18-22(11-12-25(26)31-20-21-8-3-2-4-9-21)24(19-23-10-5-6-14-28-23)29-16-7-13-27-15-17-29/h2-6,8-12,14,18,24,27H,7,13,15-17,19-20H2,1H3