2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[[2-propanoyl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[1-(4-methylphenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[[1-(4-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[2-propionyl-1-(p-tolyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-pyridylmethyl)acetamide Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C)C=C(C=C2)OCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C)C=C(C=C2)OCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-3-26(32)30-14-12-21-10-11-23(15-24(21)27(30)22-8-6-19(2)7-9-22)33-18-25(31)29-17-20-5-4-13-28-16-20/h4-11,13,15-16,27H,3,12,14,17-18H2,1-2H3,(H,29,31)