3-[azanyl-(5-phenyl-1,3-benzoxazol-2-yl)amino]propanenitrile

Systemtic Name: 3-[azanyl-(5-phenyl-1,3-benzoxazol-2-yl)amino]propanenitrile Openeye Name: 3-[amino-(5-phenyl-1,3-benzoxazol-2-yl)amino]propanenitrile CAS Name: 3-[amino-(5-phenyl-1,3-benzoxazol-2-yl)amino]propanenitrile IUPAC Name: 3-[amino-(5-phenyl-1,3-benzoxazol-2-yl)amino]propanenitrile Traditional Name: 3-[amino-(5-phenyl-1,3-benzoxazol-2-yl)amino]propionitrile Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)N(CCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)N(CCC#N)N

InChI

InChI=1S/C16H14N4O/c17-9-4-10-20(18)16-19-14-11-13(7-8-15(14)21-16)12-5-2-1-3-6-12/h1-3,5-8,11H,4,10,18H2