[(1R)-1-[(3R)-7-bromanyl-1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]ethyl] ethanoate

Systemtic Name: [(1R)-1-[(3R)-7-bromanyl-1-methyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]ethyl] ethanoate Openeye Name: [(1R)-1-[(3R)-7-bromo-1-methyl-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]ethyl] acetate CAS Name: acetic acid [(1R)-1-[(3R)-7-bromo-1-methyl-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]ethyl] ester IUPAC Name: [(1R)-1-[(3R)-7-bromo-1-methyl-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]ethyl] acetate Traditional Name: acetic acid [(1R)-1-[(3R)-7-bromo-2-keto-1-methyl-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]ethyl] ester Formula: C19H18BrN3O3 MolecularWeight: 416.26852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)C)OC(=O)C

Isomeric SMILES

C[C@H]([C@@H]1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3)C)OC(=O)C

InChI

InChI=1S/C19H18BrN3O3/c1-11(26-12(2)24)17-19(25)23(3)16-8-7-13(20)10-14(16)18(22-17)15-6-4-5-9-21-15/h4-11,17H,1-3H3/t11-,17-/m1/s1