N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-phenyl-oxane-4-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-phenyl-oxane-4-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-phenyl-tetrahydropyran-4-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-phenyl-4-oxanecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-phenyloxane-4-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-phenyl-tetrahydropyran-4-carboxamide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3(CCOCC3)C4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3(CCOCC3)C4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C27H30N2O2S/c30-26(27(12-15-31-16-13-27)24-8-2-1-3-9-24)28-18-25(23-11-17-32-20-23)29-14-10-21-6-4-5-7-22(21)19-29/h1-9,11,17,20,25H,10,12-16,18-19H2,(H,28,30)