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

Systemtic Name: 2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[[2-(1-oxopropyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-pyridinylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-[(1-phenyl-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[(1-phenyl-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-N-(3-pyridylmethyl)thiazole-4-carboxamide Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O3S/c1-2-27(34)33-14-12-21-10-11-23(15-24(21)28(33)22-8-4-3-5-9-22)36-18-26-32-25(19-37-26)29(35)31-17-20-7-6-13-30-16-20/h3-11,13,15-16,19,28H,2,12,14,17-18H2,1H3,(H,31,35)