2-[1-[2,2-bis(fluoranyl)ethyl]-5-methylsulfonyl-pyrazol-3-yl]-6-chloranyl-5-methyl-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 2-[1-[2,2-bis(fluoranyl)ethyl]-5-methylsulfonyl-pyrazol-3-yl]-6-chloranyl-5-methyl-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-chloro-2-[1-(2,2-difluoroethyl)-5-methylsulfonyl-pyrazol-3-yl]-5-methyl-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-chloro-2-[1-(2,2-difluoroethyl)-5-methylsulfonyl-3-pyrazolyl]-5-methyl-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-2-[1-(2,2-difluoroethyl)-5-methylsulfonylpyrazol-3-yl]-5-methyl-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-chloro-2-[1-(2,2-difluoroethyl)-5-mesyl-pyrazol-3-yl]-5-methyl-4-phenyl-3-propionyl-isocarbostyril Formula: C25H22ClF2N3O4S MolecularWeight: 533.974686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2C)Cl)C(=O)N1C3=NN(C(=C3)S(=O)(=O)C)CC(F)F)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2C)Cl)C(=O)N1C3=NN(C(=C3)S(=O)(=O)C)CC(F)F)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClF2N3O4S/c1-4-18(32)24-23(15-8-6-5-7-9-15)22-14(2)17(26)11-10-16(22)25(33)31(24)20-12-21(36(3,34)35)30(29-20)13-19(27)28/h5-12,19H,4,13H2,1-3H3