7-chloranyl-5-(2-fluoranyl-4-iodanyl-phenyl)-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(2-fluoranyl-4-iodanyl-phenyl)-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-fluoro-4-iodo-phenyl)-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-fluoro-4-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-fluoro-4-iodophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-fluoro-4-iodo-phenyl)-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C16H11ClFIN2O MolecularWeight: 428.627213

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=C(C=C(C=C3)I)F

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=C(C=C(C=C3)I)F

InChI

InChI=1S/C16H11ClFIN2O/c1-21-14-5-2-9(17)6-12(14)16(20-8-15(21)22)11-4-3-10(19)7-13(11)18/h2-7H,8H2,1H3