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

Systemtic Name: 1-(2-adamantyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione Openeye Name: 1-(2-adamantyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione CAS Name: 1-(2-adamantyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione IUPAC Name: 1-(2-adamantyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-dione Traditional Name: 1-(2-adamantyl)-3-isocyanato-5-phenyl-1,5-benzodiazepine-2,4-quinone Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3N4C5=CC=CC=C5N(C(=O)C(C4=O)N=C=O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3N4C5=CC=CC=C5N(C(=O)C(C4=O)N=C=O)C6=CC=CC=C6

InChI

InChI=1S/C26H25N3O3/c30-15-27-23-25(31)28(20-6-2-1-3-7-20)21-8-4-5-9-22(21)29(26(23)32)24-18-11-16-10-17(13-18)14-19(24)12-16/h1-9,16-19,23-24H,10-14H2