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

Systemtic Name: 7-fluoranyl-3-methyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Openeye Name: 7-fluoro-3-methyl-4-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]-1,4-benzoxazepin-5-one CAS Name: 7-fluoro-3-methyl-4-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-1,4-benzoxazepin-5-one IUPAC Name: 7-fluoro-3-methyl-4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one Traditional Name: 7-fluoro-3-methyl-4-[4-[4-(2-pyridyl)piperazino]butyl]-1,4-benzoxazepin-5-one Formula: C23H27FN4O2 MolecularWeight: 410.484483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C=C(C=C2)F)C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=COC2=C(C=C(C=C2)F)C(=O)N1CCCCN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H27FN4O2/c1-18-17-30-21-8-7-19(24)16-20(21)23(29)28(18)11-5-4-10-26-12-14-27(15-13-26)22-6-2-3-9-25-22/h2-3,6-9,16-17H,4-5,10-15H2,1H3