1-(3,3-dimethylbutyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione

Systemtic Name: 1-(3,3-dimethylbutyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione Openeye Name: 1-(3,3-dimethylbutyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione CAS Name: 1-(3,3-dimethylbutyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione IUPAC Name: 1-(3,3-dimethylbutyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione Traditional Name: 1-(3,3-dimethylbutyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-quinone Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-22(2,3)13-14-24-17-11-7-8-12-18(17)25(16-9-5-4-6-10-16)21(28)19(20(24)27)23-15-26/h4-12,19H,13-14H2,1-3H3