1-[5-(3,4,5-triethoxyphenyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1-[5-(3,4,5-triethoxyphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1-[5-(3,4,5-triethoxyphenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1-[5-(3,4,5-triethoxyphenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1-[5-(3,4,5-triethoxyphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1-[5-(3,4,5-triethoxyphenyl)-2-pyridyl]-1,4-diazepane Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C2=CN=C(C=C2)N3CCCNCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C2=CN=C(C=C2)N3CCCNCC3

InChI

InChI=1S/C22H31N3O3/c1-4-26-19-14-18(15-20(27-5-2)22(19)28-6-3)17-8-9-21(24-16-17)25-12-7-10-23-11-13-25/h8-9,14-16,23H,4-7,10-13H2,1-3H3