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

Systemtic Name: N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)adamantane-1-carboxamide Openeye Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide Traditional Name: N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C6=CC=CS6

InChI

InChI=1S/C25H28N2O2S/c28-23(22-2-1-7-30-22)27-6-5-19-3-4-21(11-20(19)15-27)26-24(29)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-4,7,11,16-18H,5-6,8-10,12-15H2,(H,26,29)