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

Systemtic Name: 3-chloranyl-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-(3-pyrimidin-2-yl-1-piperidyl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[3-(2-pyrimidinyl)-1-piperidinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-(3-pyrimidin-2-ylpiperidin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[3-(2-pyrimidyl)piperidino]butyl]-1,4-benzoxazepin-5-one Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCCN2C(=COC3=CC=CC=C3C2=O)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CC(CN(C1)CCCCN2C(=COC3=CC=CC=C3C2=O)Cl)C4=NC=CC=N4

InChI

InChI=1S/C22H25ClN4O2/c23-20-16-29-19-9-2-1-8-18(19)22(28)27(20)14-4-3-12-26-13-5-7-17(15-26)21-24-10-6-11-25-21/h1-2,6,8-11,16-17H,3-5,7,12-15H2