4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C22H26N4O2 MolecularWeight: 378.46744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CC=N2)CCCCN3C=COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCC1C2=NC=CC=N2)CCCCN3C=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H26N4O2/c27-22-19-6-1-2-7-20(19)28-17-16-26(22)13-4-3-12-25-14-8-18(9-15-25)21-23-10-5-11-24-21/h1-2,5-7,10-11,16-18H,3-4,8-9,12-15H2