1-[2,3-bis(oxidanyl)propyl]-5-(2-fluorophenyl)-7-iodanyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-5-(2-fluorophenyl)-7-iodanyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-one CAS Name: 1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-fluorophenyl)-1-glyceryl-7-iodo-3H-1,4-benzodiazepin-2-one Formula: C18H16FIN2O3 MolecularWeight: 454.234113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)I)C(=N1)C3=CC=CC=C3F)CC(CO)O

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)I)C(=N1)C3=CC=CC=C3F)CC(CO)O

InChI

InChI=1S/C18H16FIN2O3/c19-15-4-2-1-3-13(15)18-14-7-11(20)5-6-16(14)22(9-12(24)10-23)17(25)8-21-18/h1-7,12,23-24H,8-10H2