3-chloranyl-4-[4-(4-oxidanyl-4-pyrimidin-2-yl-piperidin-1-yl)butyl]-1,4-benzoxazepin-5-one chloride

Systemtic Name: 3-chloranyl-4-[4-(4-oxidanyl-4-pyrimidin-2-yl-piperidin-1-yl)butyl]-1,4-benzoxazepin-5-one chloride Openeye Name: 3-chloro-4-[4-(4-hydroxy-4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one chloride CAS Name: 3-chloro-4-[4-[4-hydroxy-4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one chloride IUPAC Name: 3-chloro-4-[4-(4-hydroxy-4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one chloride Traditional Name: 3-chloro-4-[4-[4-hydroxy-4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one chloride Formula: C22H25Cl2N4O3- MolecularWeight: 464.3649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=NC=CC=N2)O)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl.[Cl-]

Isomeric SMILES

C1CN(CCC1(C2=NC=CC=N2)O)CCCCN3C(=COC4=CC=CC=C4C3=O)Cl.[Cl-]

InChI

InChI=1S/C22H25ClN4O3.ClH/c23-19-16-30-18-7-2-1-6-17(18)20(28)27(19)13-4-3-12-26-14-8-22(29,9-15-26)21-24-10-5-11-25-21;/h1-2,5-7,10-11,16,29H,3-4,8-9,12-15H2;1H/p-1