1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane

Systemtic Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane Openeye Name: 1-[2-(2-pyridyl)-1-(2,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane CAS Name: 1-[2-(2-pyridinyl)-1-(2,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane IUPAC Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane Traditional Name: 1-[1-asaryl-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(CC2=CC=CC=N2)N3CCCNCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(CC2=CC=CC=N2)N3CCCNCC3)OC)OC

InChI

InChI=1S/C21H29N3O3/c1-25-19-15-21(27-3)20(26-2)14-17(19)18(13-16-7-4-5-9-23-16)24-11-6-8-22-10-12-24/h4-5,7,9,14-15,18,22H,6,8,10-13H2,1-3H3