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

Systemtic Name: 3,8-bis(chloranyl)-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 3,8-dichloro-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3,8-dichloro-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3,8-dichloro-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 3,8-dichloro-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C22H24Cl2N4O2 MolecularWeight: 447.35756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N4O2/c23-17-6-7-18-19(15-17)30-16-20(24)28(22(18)29)10-4-3-9-26-11-13-27(14-12-26)21-5-1-2-8-25-21/h1-2,5-8,15-16H,3-4,9-14H2