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

Systemtic Name: 3-(5-phenyl-3-propyl-1,2-oxazol-4-yl)propanenitrile Openeye Name: 3-(5-phenyl-3-propyl-isoxazol-4-yl)propanenitrile CAS Name: 3-(5-phenyl-3-propyl-4-isoxazolyl)propanenitrile IUPAC Name: 3-(5-phenyl-3-propyl-1,2-oxazol-4-yl)propanenitrile Traditional Name: 3-(5-phenyl-3-propyl-isoxazol-4-yl)propionitrile Formula: C15H16N2O MolecularWeight: 240.30034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NOC(=C1CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O/c1-2-7-14-13(10-6-11-16)15(18-17-14)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10H2,1H3