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

Systemtic Name: [(3R)-7-bromanyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl] ethanoate Openeye Name: [(3R)-7-bromo-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate CAS Name: acetic acid [(3R)-7-bromo-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [(3R)-7-bromo-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate Traditional Name: acetic acid [(3R)-7-bromo-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O3/c1-11(22)24-17-18(23)21(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17H,1-2H3/t17-/m1/s1