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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzenecarbonitrile Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methylamino]benzonitrile CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methylamino]benzonitrile IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzonitrile Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methylamino]benzonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O/c1-9-13(10(2)17-16-9)8-15-12-5-3-11(7-14)4-6-12/h3-6,15H,8H2,1-2H3