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

Systemtic Name: 4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(6-chloropyridin-2-yl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2/c23-20-8-5-9-21(24-20)26-14-12-25(13-15-26)10-3-4-11-27-16-17-29-19-7-2-1-6-18(19)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2