1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-6-(4-pyridylmethoxy)-4-(2-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-4-(2-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-4-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-6-(4-pyridylmethoxy)-4-(2-pyridylmethyl)-1,4-diazepan-2-one Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)CC2=CC=CC=N2)OCC3=CC=NC=C3

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)CC2=CC=CC=N2)OCC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O2/c1-17(2)11-25-14-20(27-16-18-6-9-22-10-7-18)13-24(15-21(25)26)12-19-5-3-4-8-23-19/h3-10,17,20H,11-16H2,1-2H3