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

Systemtic Name: 3-chloranyl-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one chloride Openeye Name: 3-chloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one chloride CAS Name: 3-chloro-4-[4-[4-(2-pyrimidinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one chloride IUPAC Name: 3-chloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepin-5-one chloride Traditional Name: 3-chloro-4-[4-[4-(2-pyrimidyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one chloride Formula: C22H23Cl2N4O2- MolecularWeight: 446.34962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=NC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl.[Cl-]

Isomeric SMILES

C1CN(CC=C1C2=NC=CC=N2)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl.[Cl-]

InChI

InChI=1S/C22H23ClN4O2.ClH/c23-20-16-29-19-7-2-1-6-18(19)22(28)27(20)13-4-3-12-26-14-8-17(9-15-26)21-24-10-5-11-25-21;/h1-2,5-8,10-11,16H,3-4,9,12-15H2;1H/p-1