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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-2-30-25-19-22(12-13-24(25)31-20-21-9-4-3-5-10-21)26(23-11-6-7-15-28-23)29-17-8-14-27-16-18-29/h3-7,9-13,15,19,26-27H,2,8,14,16-18,20H2,1H3