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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC(=O)N1C(C2=CC=CC=C2OC3=CC=CC=C31)Cl)O

Isomeric SMILES

CCCCCC(C#CC(=O)N1C(C2=CC=CC=C2OC3=CC=CC=C31)Cl)O

InChI

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