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

Systemtic Name: 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-5H-1,4-benzoxazepin-3-one Openeye Name: 4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-5H-1,4-benzoxazepin-3-one CAS Name: 4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-5H-1,4-benzoxazepin-3-one IUPAC Name: 4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-5H-1,4-benzoxazepin-3-one Traditional Name: 4-[4-[4-(2-pyridyl)piperazino]butyl]-5H-1,4-benzoxazepin-3-one Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2CC3=CC=CC=C3OCC2=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2CC3=CC=CC=C3OCC2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H28N4O2/c27-22-18-28-20-8-2-1-7-19(20)17-26(22)12-6-5-11-24-13-15-25(16-14-24)21-9-3-4-10-23-21/h1-4,7-10H,5-6,11-18H2