4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-7-fluoranyl-3-methyl-1,4-benzoxazepin-5-one

Systemtic Name: 4-[4-[4-(6-chloranylpyridin-2-yl)piperazin-1-yl]butyl]-7-fluoranyl-3-methyl-1,4-benzoxazepin-5-one Openeye Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazin-1-yl]butyl]-7-fluoro-3-methyl-1,4-benzoxazepin-5-one CAS Name: 4-[4-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]butyl]-7-fluoro-3-methyl-1,4-benzoxazepin-5-one IUPAC Name: 4-[4-[4-(6-chloropyridin-2-yl)piperazin-1-yl]butyl]-7-fluoro-3-methyl-1,4-benzoxazepin-5-one Traditional Name: 4-[4-[4-(6-chloro-2-pyridyl)piperazino]butyl]-7-fluoro-3-methyl-1,4-benzoxazepin-5-one Formula: C23H26ClFN4O2 MolecularWeight: 444.929543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClFN4O2/c1-17-16-31-20-8-7-18(25)15-19(20)23(30)29(17)10-3-2-9-27-11-13-28(14-12-27)22-6-4-5-21(24)26-22/h4-8,15-16H,2-3,9-14H2,1H3