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

Systemtic Name: 3-cyclohexyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: 3-cyclohexyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-cyclohexyl-N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-cyclohexyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-cyclohexyl-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C23H28N2O2S/c26-22(11-8-17-5-2-1-3-6-17)24-20-10-9-18-12-13-25(16-19(18)15-20)23(27)21-7-4-14-28-21/h4,7,9-10,14-15,17H,1-3,5-6,8,11-13,16H2,(H,24,26)