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

Systemtic Name: 3-chloranyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=COC3=CC=CC=C3C2=O)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=COC3=CC=CC=C3C2=O)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H24ClN5O2/c22-19-16-29-18-7-2-1-6-17(18)20(28)27(19)11-4-3-10-25-12-14-26(15-13-25)21-23-8-5-9-24-21/h1-2,5-9,16H,3-4,10-15H2