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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]adamantane-1-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]adamantane-1-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]adamantane-1-carboxamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C34CC5CC(C3)CC(C5)C4)C6=CSC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C34CC5CC(C3)CC(C5)C4)C6=CSC=C6

InChI

InChI=1S/C26H32N2OS/c29-25(26-12-18-9-19(13-26)11-20(10-18)14-26)27-15-24(23-6-8-30-17-23)28-7-5-21-3-1-2-4-22(21)16-28/h1-4,6,8,17-20,24H,5,7,9-16H2,(H,27,29)