3-oxidanylidene-3-[1-propan-2-yl-7-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]indol-3-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-[1-propan-2-yl-7-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]indol-3-yl]propanenitrile Openeye Name: 3-[1-isopropyl-7-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]indol-3-yl]-3-oxo-propanenitrile CAS Name: 3-oxo-3-[1-propan-2-yl-7-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]-3-indolyl]propanenitrile IUPAC Name: 3-oxo-3-[1-propan-2-yl-7-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]indol-3-yl]propanenitrile Traditional Name: 3-[1-isopropyl-7-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]indol-3-yl]-3-keto-propionitrile Formula: C22H17N5O MolecularWeight: 367.40328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=CC=CC(=C21)C#CC3=C4C=CNC4=NC=N3)C(=O)CC#N

Isomeric SMILES

CC(C)N1C=C(C2=CC=CC(=C21)C#CC3=C4C=CNC4=NC=N3)C(=O)CC#N

InChI

InChI=1S/C22H17N5O/c1-14(2)27-12-18(20(28)8-10-23)16-5-3-4-15(21(16)27)6-7-19-17-9-11-24-22(17)26-13-25-19/h3-5,9,11-14H,8H2,1-2H3,(H,24,25,26)