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

Systemtic Name: 2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(phenylmethyl)butanamide Openeye Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-benzyl-butanamide CAS Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(phenylmethyl)butanamide IUPAC Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-benzylbutanamide Traditional Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-benzyl-butyramide Formula: C28H29FN2O3 MolecularWeight: 460.539863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN2O3/c1-3-26(28(33)30-18-20-8-5-4-6-9-20)34-24-13-12-21-14-15-31(19(2)32)27(25(21)17-24)22-10-7-11-23(29)16-22/h4-13,16-17,26-27H,3,14-15,18H2,1-2H3,(H,30,33)