N-(1-cyanocycloheptyl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[3-[2-(2-thienyl)ethynyl]anilino]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[3-(2-thiophen-2-ylethynyl)anilino]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[3-[2-(2-thienyl)ethynyl]anilino]acetamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CNC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CNC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C22H23N3OS/c23-17-22(12-3-1-2-4-13-22)25-21(26)16-24-19-8-5-7-18(15-19)10-11-20-9-6-14-27-20/h5-9,14-15,24H,1-4,12-13,16H2,(H,25,26)