2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-pyridylmethyl)butanamide CAS Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-pyridylmethyl)butyramide Formula: C27H28FN3O3 MolecularWeight: 461.527923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

InChI

InChI=1S/C27H28FN3O3/c1-3-25(27(33)30-17-19-6-5-12-29-16-19)34-23-10-9-20-11-13-31(18(2)32)26(24(20)15-23)21-7-4-8-22(28)14-21/h4-10,12,14-16,25-26H,3,11,13,17H2,1-2H3,(H,30,33)