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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]thiazole-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[2-(1-oxopropyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-4-thiazolecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-2-[(1-phenyl-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]thiazole-4-carboxamide Formula: C30H28FN3O3S MolecularWeight: 529.625023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28FN3O3S/c1-2-28(35)34-15-14-21-10-13-24(16-25(21)29(34)22-6-4-3-5-7-22)37-18-27-33-26(19-38-27)30(36)32-17-20-8-11-23(31)12-9-20/h3-13,16,19,29H,2,14-15,17-18H2,1H3,(H,32,36)