1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propan-1-one Formula: C26H22FN3OS MolecularWeight: 443.535783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3OS/c1-17(26(31)30-15-14-18-6-2-3-7-20(18)16-30)32-25-23-9-5-4-8-22(23)24(28-29-25)19-10-12-21(27)13-11-19/h2-13,17H,14-16H2,1H3