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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-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=CN=CC=C2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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