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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC3=CC=C(C=C3)C#[N+]C(=O)N)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC3=CC=C(C=C3)C#[N+]C(=O)N)Br

InChI

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