4-chloranyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzenecarbonitrile Openeye Name: 4-chloro-2-[(3,5-dimethylisoxazol-4-yl)methylamino]benzonitrile CAS Name: 4-chloro-2-[(3,5-dimethyl-4-isoxazolyl)methylamino]benzonitrile IUPAC Name: 4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzonitrile Traditional Name: 4-chloro-2-[(3,5-dimethylisoxazol-4-yl)methylamino]benzonitrile Formula: C13H12ClN3O MolecularWeight: 261.70688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CNC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)CNC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C13H12ClN3O/c1-8-12(9(2)18-17-8)7-16-13-5-11(14)4-3-10(13)6-15/h3-5,16H,7H2,1-2H3