3,7-bis(chloranyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3,7-bis(chloranyl)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,7-dichloro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one CAS Name: 3,7-dichloro-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,7-dichloro-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,7-dichloro-4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C21H23Cl2N5O2 MolecularWeight: 448.34562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N5O2/c22-16-4-5-18-17(14-16)20(29)28(19(23)15-30-18)9-2-1-8-26-10-12-27(13-11-26)21-24-6-3-7-25-21/h3-7,14-15H,1-2,8-13H2