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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(5-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

InChI=1S/C27H33N3O3/c1-20-10-11-23(29-18-20)26(30-14-7-12-28-13-15-30)22-16-24(31-2)27(25(17-22)32-3)33-19-21-8-5-4-6-9-21/h4-6,8-11,16-18,26,28H,7,12-15,19H2,1-3H3