4-phenyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxane-4-carboxamide

Systemtic Name: 4-phenyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)oxane-4-carboxamide Openeye Name: 4-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydropyran-4-carboxamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-4-oxanecarboxamide IUPAC Name: 4-phenyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxane-4-carboxamide Traditional Name: 4-phenyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydropyran-4-carboxamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3(CCOCC3)C4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3(CCOCC3)C4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H26N2O3S/c29-24(23-7-4-16-32-23)28-13-10-19-8-9-22(17-20(19)18-28)27-25(30)26(11-14-31-15-12-26)21-5-2-1-3-6-21/h1-9,16-17H,10-15,18H2,(H,27,30)