N-aminocarbonyl-2-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]benzonitrilium

Systemtic Name: N-aminocarbonyl-2-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]benzonitrilium Openeye Name: 2-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-N-carbamoyl-benzonitrilium CAS Name: 2-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-N-carbamoylbenzonitrilium IUPAC Name: 2-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-N-carbamoylbenzonitrilium Traditional Name: 2-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-N-carbamoyl-benzonitrilium Formula: C18H15BrN5O+ MolecularWeight: 397.2486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC3=CC=CC=C3C#[N+]C(=O)N)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC3=CC=CC=C3C#[N+]C(=O)N)Br

InChI

InChI=1S/C18H14BrN5O/c1-24-11-15(19)17(23-24)12-6-4-7-14(9-12)22-16-8-3-2-5-13(16)10-21-18(20)25/h2-9,11H,1H3,(H2,20,25)/p+1