6-(4-ethylpiperazin-1-yl)carbonyl-7,8-bis(fluoranyl)-1-(4-iodanyl-2-methyl-phenyl)-2H-3,1-benzoxazin-4-one

Systemtic Name: 6-(4-ethylpiperazin-1-yl)carbonyl-7,8-bis(fluoranyl)-1-(4-iodanyl-2-methyl-phenyl)-2H-3,1-benzoxazin-4-one Openeye Name: 6-(4-ethylpiperazine-1-carbonyl)-7,8-difluoro-1-(4-iodo-2-methyl-phenyl)-2H-3,1-benzoxazin-4-one CAS Name: 6-[(4-ethyl-1-piperazinyl)-oxomethyl]-7,8-difluoro-1-(4-iodo-2-methylphenyl)-2H-3,1-benzoxazin-4-one IUPAC Name: 6-(4-ethylpiperazine-1-carbonyl)-7,8-difluoro-1-(4-iodo-2-methylphenyl)-2H-3,1-benzoxazin-4-one Traditional Name: 6-(4-ethylpiperazine-1-carbonyl)-7,8-difluoro-1-(4-iodo-2-methyl-phenyl)-2H-3,1-benzoxazin-4-one Formula: C22H22F2IN3O3 MolecularWeight: 541.329656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=C(C(=C3C(=C2)C(=O)OCN3C4=C(C=C(C=C4)I)C)F)F

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=C(C(=C3C(=C2)C(=O)OCN3C4=C(C=C(C=C4)I)C)F)F

InChI

InChI=1S/C22H22F2IN3O3/c1-3-26-6-8-27(9-7-26)21(29)15-11-16-20(19(24)18(15)23)28(12-31-22(16)30)17-5-4-14(25)10-13(17)2/h4-5,10-11H,3,6-9,12H2,1-2H3