2-methoxy-N-[2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-methoxy-N-[2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-methoxy-N-[2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-methoxy-N-[2-(1-oxo-3-phenylprop-2-ynyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-methoxy-N-[2-(3-phenylprop-2-ynoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-methoxy-N-[2-(3-phenylpropioloyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)C#CC4=CC=CC=C4)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(CCN(C3)C(=O)C#CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H22N2O3/c1-31-24-10-6-5-9-23(24)26(30)27-22-13-12-20-15-16-28(18-21(20)17-22)25(29)14-11-19-7-3-2-4-8-19/h2-10,12-13,17H,15-16,18H2,1H3,(H,27,30)