4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 4-[4-[5-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[5-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=C1)C2=NC=CC=N2)CCCCN3C=COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC(=C1)C2=NC=CC=N2)CCCCN3C=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O2/c27-22-19-8-1-2-9-20(19)28-16-15-26(22)14-4-3-12-25-13-5-7-18(17-25)21-23-10-6-11-24-21/h1-2,6-11,15-16H,3-5,12-14,17H2