4-tert-butyl-7-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: 4-tert-butyl-7-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 4-tert-butyl-7-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 4-tert-butyl-7-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 4-tert-butyl-7-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 4-tert-butyl-7-(2-phenylethynyl)-1,3-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C21H20N2O2 MolecularWeight: 332.3957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(=O)NC2=C(C1=O)C=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N1CC(=O)NC2=C(C1=O)C=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2/c1-21(2,3)23-14-19(24)22-18-12-11-16(13-17(18)20(23)25)10-9-15-7-5-4-6-8-15/h4-8,11-13H,14H2,1-3H3,(H,22,24)