2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-methylbutyl)butanamide

Systemtic Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-methylbutyl)butanamide Openeye Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-isopentyl-butanamide CAS Name: 2-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-methylbutyl)butanamide IUPAC Name: 2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(3-methylbutyl)butanamide Traditional Name: 2-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-isoamyl-butyramide Formula: C27H35FN2O3 MolecularWeight: 454.576803

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC(C)C)OC1=CC2=C(CCN(C2C3=CC(=CC=C3)F)C(=O)CC)C=C1

Isomeric SMILES

CCC(C(=O)NCCC(C)C)OC1=CC2=C(CCN(C2C3=CC(=CC=C3)F)C(=O)CC)C=C1

InChI

InChI=1S/C27H35FN2O3/c1-5-24(27(32)29-14-12-18(3)4)33-22-11-10-19-13-15-30(25(31)6-2)26(23(19)17-22)20-8-7-9-21(28)16-20/h7-11,16-18,24,26H,5-6,12-15H2,1-4H3,(H,29,32)