3-chloranyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,4-benzoxazepin-5-one Formula: C20H22ClN5O2 MolecularWeight: 399.87398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=COC3=CC=CC=C3C2=O)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCN2C(=COC3=CC=CC=C3C2=O)Cl)C4=NC=CC=N4

InChI

InChI=1S/C20H22ClN5O2/c21-18-15-28-17-6-2-1-5-16(17)19(27)26(18)10-4-9-24-11-13-25(14-12-24)20-22-7-3-8-23-20/h1-3,5-8,15H,4,9-14H2