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

Systemtic Name: 2-[[2-(2-methylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-benzyl-2-[[2-(2-methylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]thiazole-4-carboxamide CAS Name: 2-[[2-(2-methyl-1-oxopropyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: N-benzyl-2-[[2-(2-methylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-benzyl-2-[(2-isobutyryl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]thiazole-4-carboxamide Formula: C31H31N3O3S MolecularWeight: 525.66114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CS4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)OCC4=NC(=CS4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-21(2)31(36)34-16-15-23-13-14-25(17-26(23)29(34)24-11-7-4-8-12-24)37-19-28-33-27(20-38-28)30(35)32-18-22-9-5-3-6-10-22/h3-14,17,20-21,29H,15-16,18-19H2,1-2H3,(H,32,35)