3-azanyl-1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione

Systemtic Name: 3-azanyl-1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione Openeye Name: 3-amino-1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione CAS Name: 3-amino-1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione IUPAC Name: 3-amino-1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-dione Traditional Name: 3-amino-1-(3,3-dimethylbutyl)-5-(2-fluorophenyl)-1,5-benzodiazepine-2,4-quinone Formula: C21H24FN3O2 MolecularWeight: 369.432563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)N)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)CCN1C2=CC=CC=C2N(C(=O)C(C1=O)N)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O2/c1-21(2,3)12-13-24-16-10-6-7-11-17(16)25(20(27)18(23)19(24)26)15-9-5-4-8-14(15)22/h4-11,18H,12-13,23H2,1-3H3