3-[[(3-chlorophenyl)-(1H-pyrazol-4-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(3-chlorophenyl)-(1H-pyrazol-4-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[3-chloro-N-(1H-pyrazol-4-yl)anilino]methyl]benzonitrile CAS Name: 3-[[3-chloro-N-(1H-pyrazol-4-yl)anilino]methyl]benzonitrile IUPAC Name: 3-[[3-chloro-N-(1H-pyrazol-4-yl)anilino]methyl]benzonitrile Traditional Name: 3-[[3-chloro-N-(1H-pyrazol-4-yl)anilino]methyl]benzonitrile Formula: C17H13ClN4 MolecularWeight: 308.76492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(C2=CC(=CC=C2)Cl)C3=CNN=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN(C2=CC(=CC=C2)Cl)C3=CNN=C3)C#N

InChI

InChI=1S/C17H13ClN4/c18-15-5-2-6-16(8-15)22(17-10-20-21-11-17)12-14-4-1-3-13(7-14)9-19/h1-8,10-11H,12H2,(H,20,21)