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

Systemtic Name: 1-[2-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane Openeye Name: 1-[2-(2-pyridyl)-1-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane CAS Name: 1-[2-(2-pyridinyl)-1-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane IUPAC Name: 1-[2-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane Traditional Name: 1-[2-(2-pyridyl)-1-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(CC2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(CC2=CC=CC=N2)N3CCCNCC3

InChI

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