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

Systemtic Name: 8-chloranyl-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 8-chloro-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 8-chloro-3-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 8-chloro-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 8-chloro-3-methyl-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C22H26ClN5O2 MolecularWeight: 427.92714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=COC2=C(C=CC(=C2)Cl)C(=O)N1CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26ClN5O2/c1-17-16-30-20-15-18(23)5-6-19(20)21(29)28(17)10-3-2-9-26-11-13-27(14-12-26)22-24-7-4-8-25-22/h4-8,15-16H,2-3,9-14H2,1H3