3-(5-tert-butyl-3-phenyl-1,2-oxazol-4-yl)propanenitrile

Systemtic Name: 3-(5-tert-butyl-3-phenyl-1,2-oxazol-4-yl)propanenitrile Openeye Name: 3-(5-tert-butyl-3-phenyl-isoxazol-4-yl)propanenitrile CAS Name: 3-(5-tert-butyl-3-phenyl-4-isoxazolyl)propanenitrile IUPAC Name: 3-(5-tert-butyl-3-phenyl-1,2-oxazol-4-yl)propanenitrile Traditional Name: 3-(5-tert-butyl-3-phenyl-isoxazol-4-yl)propionitrile Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NO1)C2=CC=CC=C2)CCC#N

Isomeric SMILES

CC(C)(C)C1=C(C(=NO1)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C16H18N2O/c1-16(2,3)15-13(10-7-11-17)14(18-19-15)12-8-5-4-6-9-12/h4-6,8-9H,7,10H2,1-3H3