1-(4-ethanoylpiperazin-1-yl)-2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[1-(3-fluorophenyl)-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-butanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[[1-(3-fluorophenyl)-2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butan-1-one Formula: C28H34FN3O4 MolecularWeight: 495.585663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(=O)C)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)CC)C=C2

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(=O)C)OC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)CC)C=C2

InChI

InChI=1S/C28H34FN3O4/c1-4-25(28(35)31-15-13-30(14-16-31)19(3)33)36-23-10-9-20-11-12-32(26(34)5-2)27(24(20)18-23)21-7-6-8-22(29)17-21/h6-10,17-18,25,27H,4-5,11-16H2,1-3H3