4-[[3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]amino]benzenecarbonitrile

Systemtic Name: 4-[[3-(4-bromanyl-2-methyl-pyrazol-3-yl)phenyl]amino]benzenecarbonitrile Openeye Name: 4-[3-(4-bromo-2-methyl-pyrazol-3-yl)anilino]benzonitrile CAS Name: 4-[3-(4-bromo-2-methyl-3-pyrazolyl)anilino]benzonitrile IUPAC Name: 4-[3-(4-bromo-2-methylpyrazol-3-yl)anilino]benzonitrile Traditional Name: 4-[3-(4-bromo-2-methyl-pyrazol-3-yl)anilino]benzonitrile Formula: C17H13BrN4 MolecularWeight: 353.21592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=CC(=CC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13BrN4/c1-22-17(16(18)11-20-22)13-3-2-4-15(9-13)21-14-7-5-12(10-19)6-8-14/h2-9,11,21H,1H3