3-chloranyl-4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one

Systemtic Name: 3-chloranyl-4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 3-chloro-4-[4-[4-(6-chloro-2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 3-chloro-4-[4-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 3-chloro-4-[4-[4-(6-chloropyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 3-chloro-4-[4-[4-(6-chloro-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=CC=CC=C3C2=O)Cl)C4=NC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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