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

Systemtic Name: 1-[1-(3-ethoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(4-benzyloxy-3-ethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(3-ethoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(4-benzoxy-3-ethoxy-phenyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c1-2-31-27-19-23(12-13-26(27)32-21-22-9-4-3-5-10-22)25(20-24-11-6-7-15-29-24)30-17-8-14-28-16-18-30/h3-7,9-13,15,19,25,28H,2,8,14,16-18,20-21H2,1H3