6-bromanyl-5-(2-chlorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 6-bromanyl-5-(2-chlorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one Openeye Name: 6-bromo-5-(2-chlorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one CAS Name: 6-bromo-5-(2-chlorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 6-bromo-5-(2-chlorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one Traditional Name: 6-bromo-5-(2-chlorophenyl)-7-isocyanato-1,3-dimethyl-3H-1,4-benzodiazepin-2-one Formula: C18H13BrClN3O2 MolecularWeight: 418.67172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(C(=C(C=C2)N=C=O)Br)C(=N1)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1C(=O)N(C2=C(C(=C(C=C2)N=C=O)Br)C(=N1)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C18H13BrClN3O2/c1-10-18(25)23(2)14-8-7-13(21-9-24)16(19)15(14)17(22-10)11-5-3-4-6-12(11)20/h3-8,10H,1-2H3