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

Systemtic Name: 3-chloranyl-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one hydrochloride Openeye Name: 3-chloro-4-[4-(4-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one hydrochloride CAS Name: 3-chloro-4-[4-[4-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one hydrochloride IUPAC Name: 3-chloro-4-[4-(4-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one hydrochloride Traditional Name: 3-chloro-4-[4-[4-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one hydrochloride Formula: C22H26Cl2N4O2 MolecularWeight: 449.37344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2.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;/h1-2,5-7,10-11,16-17H,3-4,8-9,12-15H2;1H