2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(p-tolyl)thiazole-4-carboxamide CAS Name: 2-[[2-(3-methyl-1-oxobutyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-methylphenyl)-4-thiazolecarboxamide IUPAC Name: 2-[[2-(3-methylbutanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[(2-isovaleryl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(p-tolyl)thiazole-4-carboxamide Formula: C32H33N3O3S MolecularWeight: 539.68772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)COC3=CC4=C(CCN(C4C5=CC=CC=C5)C(=O)CC(C)C)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)COC3=CC4=C(CCN(C4C5=CC=CC=C5)C(=O)CC(C)C)C=C3

InChI

InChI=1S/C32H33N3O3S/c1-21(2)17-30(36)35-16-15-23-11-14-26(18-27(23)31(35)24-7-5-4-6-8-24)38-19-29-34-28(20-39-29)32(37)33-25-12-9-22(3)10-13-25/h4-14,18,20-21,31H,15-17,19H2,1-3H3,(H,33,37)