6-chloranyl-2-[[1-(3-methyl-3-oxidanyl-butyl)-5-methylsulfonyl-pyrazol-3-yl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-chloranyl-2-[[1-(3-methyl-3-oxidanyl-butyl)-5-methylsulfonyl-pyrazol-3-yl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-chloro-2-[[1-(3-hydroxy-3-methyl-butyl)-5-methylsulfonyl-pyrazol-3-yl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-chloro-2-[[1-(3-hydroxy-3-methylbutyl)-5-methylsulfonyl-3-pyrazolyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-2-[[1-(3-hydroxy-3-methylbutyl)-5-methylsulfonylpyrazol-3-yl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-chloro-2-[[1-(3-hydroxy-3-methyl-butyl)-5-mesyl-pyrazol-3-yl]methyl]-4-phenyl-3-propionyl-isocarbostyril Formula: C28H30ClN3O5S MolecularWeight: 556.0729

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=NN(C(=C3)S(=O)(=O)C)CCC(C)(C)O)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=NN(C(=C3)S(=O)(=O)C)CCC(C)(C)O)C4=CC=CC=C4

InChI

InChI=1S/C28H30ClN3O5S/c1-5-23(33)26-25(18-9-7-6-8-10-18)22-15-19(29)11-12-21(22)27(34)31(26)17-20-16-24(38(4,36)37)32(30-20)14-13-28(2,3)35/h6-12,15-16,35H,5,13-14,17H2,1-4H3