3-oxidanylidene-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]piperidin-1-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]piperidin-1-yl]propanenitrile Openeye Name: 3-oxo-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)vinyl]-1-piperidyl]propanenitrile CAS Name: 3-oxo-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]-1-piperidinyl]propanenitrile IUPAC Name: 3-oxo-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethenyl]piperidin-1-yl]propanenitrile Traditional Name: 3-keto-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)vinyl]piperidino]propionitrile Formula: C16H17N5O MolecularWeight: 295.33908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1CCCN(C1)C(=O)CC#N)C2=C3C=CNC3=NC=N2

Isomeric SMILES

C=C(C1CCCN(C1)C(=O)CC#N)C2=C3C=CNC3=NC=N2

InChI

InChI=1S/C16H17N5O/c1-11(15-13-5-7-18-16(13)20-10-19-15)12-3-2-8-21(9-12)14(22)4-6-17/h5,7,10,12H,1-4,8-9H2,(H,18,19,20)