7-iodanyl-4-phenethyl-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: 7-iodanyl-4-phenethyl-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 7-iodo-4-phenethyl-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 7-iodo-4-phenethyl-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 7-iodo-4-phenethyl-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 7-iodo-4-phenethyl-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C24H18F3IN2O3 MolecularWeight: 566.311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C24H18F3IN2O3/c25-24(26,27)33-18-9-6-16(7-10-18)21-22(31)29-20-11-8-17(28)14-19(20)23(32)30(21)13-12-15-4-2-1-3-5-15/h1-11,14,21H,12-13H2,(H,29,31)