1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2/c1-3-31-26-18-23(11-13-25(26)32-20-22-8-5-4-6-9-22)27(24-12-10-21(2)19-29-24)30-16-7-14-28-15-17-30/h4-6,8-13,18-19,27-28H,3,7,14-17,20H2,1-2H3