N-(cyanomethyl)-2-[2-[4-(6-methoxypyridin-2-yl)thiophen-3-yl]ethynyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[2-[4-(6-methoxypyridin-2-yl)thiophen-3-yl]ethynyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[2-[4-(6-methoxy-2-pyridyl)-3-thienyl]ethynyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-[4-(6-methoxy-2-pyridinyl)-3-thiophenyl]ethynyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-[4-(6-methoxypyridin-2-yl)thiophen-3-yl]ethynyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[2-[4-(6-methoxy-2-pyridyl)-3-thienyl]ethynyl]cyclohexanecarboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CSC=C2C#CC3CCCCC3C(=O)NCC#N

Isomeric SMILES

COC1=CC=CC(=N1)C2=CSC=C2C#CC3CCCCC3C(=O)NCC#N

InChI

InChI=1S/C21H21N3O2S/c1-26-20-8-4-7-19(24-20)18-14-27-13-16(18)10-9-15-5-2-3-6-17(15)21(25)23-12-11-22/h4,7-8,13-15,17H,2-3,5-6,12H2,1H3,(H,23,25)