1-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-oxidanyl-non-2-yn-1-one

Systemtic Name: 1-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-oxidanyl-non-2-yn-1-one Openeye Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-hydroxy-non-2-yn-1-one CAS Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-hydroxy-2-nonyn-1-one IUPAC Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-hydroxynon-2-yn-1-one Traditional Name: 1-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-4-hydroxy-non-2-yn-1-one Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl)O

Isomeric SMILES

CCCCCC(C#CC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl)O

InChI

InChI=1S/C22H22ClNO3/c1-2-3-4-8-18(25)11-13-22(26)24-15-16-7-5-6-9-20(16)27-21-12-10-17(23)14-19(21)24/h5-7,9-10,12,14,18,25H,2-4,8,15H2,1H3