3-chloranyl-8-oxidanyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-8-oxidanyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-8-hydroxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-8-hydroxy-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-8-hydroxy-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-8-hydroxy-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=COC3=C(C2=O)C=CC(=C3)O)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=COC3=C(C2=O)C=CC(=C3)O)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H24ClN5O3/c22-19-15-30-18-14-16(28)4-5-17(18)20(29)27(19)9-2-1-8-25-10-12-26(13-11-25)21-23-6-3-7-24-21/h3-7,14-15,28H,1-2,8-13H2