3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propanenitrile

Systemtic Name: 3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propanenitrile Openeye Name: 3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propanenitrile CAS Name: 3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propanenitrile IUPAC Name: 3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propanenitrile Traditional Name: 3-[2-(4-phenylbutyl)-1,3-benzoxazol-7-yl]propionitrile Formula: C20H20N2O MolecularWeight: 304.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=NC3=CC=CC(=C3O2)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=NC3=CC=CC(=C3O2)CCC#N

InChI

InChI=1S/C20H20N2O/c21-15-7-12-17-11-6-13-18-20(17)23-19(22-18)14-5-4-10-16-8-2-1-3-9-16/h1-3,6,8-9,11,13H,4-5,7,10,12,14H2