7-(3-chloranyl-4-fluoranyl-phenyl)-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one

Systemtic Name: 7-(3-chloranyl-4-fluoranyl-phenyl)-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Openeye Name: 7-(3-chloro-4-fluoro-phenyl)-5-propyl-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one CAS Name: 7-(3-chloro-4-fluorophenyl)-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one IUPAC Name: 7-(3-chloro-4-fluorophenyl)-5-propyl-5-thiophen-2-yl-1H-4,1-benzoxazepin-2-one Traditional Name: 7-(3-chloro-4-fluoro-phenyl)-5-propyl-5-(2-thienyl)-1H-4,1-benzoxazepin-2-one Formula: C22H19ClFNO2S MolecularWeight: 415.908163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CCCC1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C22H19ClFNO2S/c1-2-9-22(20-4-3-10-28-20)16-11-14(15-5-7-18(24)17(23)12-15)6-8-19(16)25-21(26)13-27-22/h3-8,10-12H,2,9,13H2,1H3,(H,25,26)