furan-3-yl-[4-(2-isoquinolin-4-ylethynyl)-4-oxidanyl-piperidin-1-yl]methanone

Systemtic Name: furan-3-yl-[4-(2-isoquinolin-4-ylethynyl)-4-oxidanyl-piperidin-1-yl]methanone Openeye Name: 3-furyl-[4-hydroxy-4-[2-(4-isoquinolyl)ethynyl]-1-piperidyl]methanone CAS Name: 3-furanyl-[4-hydroxy-4-[2-(4-isoquinolinyl)ethynyl]-1-piperidinyl]methanone IUPAC Name: furan-3-yl-[4-hydroxy-4-(2-isoquinolin-4-ylethynyl)piperidin-1-yl]methanone Traditional Name: 3-furyl-[4-hydroxy-4-[2-(4-isoquinolyl)ethynyl]piperidino]methanone Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#CC2=CN=CC3=CC=CC=C32)O)C(=O)C4=COC=C4

Isomeric SMILES

C1CN(CCC1(C#CC2=CN=CC3=CC=CC=C32)O)C(=O)C4=COC=C4

InChI

InChI=1S/C21H18N2O3/c24-20(18-6-12-26-15-18)23-10-8-21(25,9-11-23)7-5-17-14-22-13-16-3-1-2-4-19(16)17/h1-4,6,12-15,25H,8-11H2