2-[3-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-5-methylsulfonyl-pyrazol-1-yl]ethanamide

Systemtic Name: 2-[3-[(6-chloranyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]-5-methylsulfonyl-pyrazol-1-yl]ethanamide Openeye Name: 2-[3-[(6-chloro-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]-5-methylsulfonyl-pyrazol-1-yl]acetamide CAS Name: 2-[3-[[6-chloro-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]-5-methylsulfonyl-1-pyrazolyl]acetamide IUPAC Name: 2-[3-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]-5-methylsulfonylpyrazol-1-yl]acetamide Traditional Name: 2-[3-[(6-chloro-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]-5-mesyl-pyrazol-1-yl]acetamide Formula: C25H23ClN4O5S MolecularWeight: 526.99192

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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)CC(=O)N)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)CC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O5S/c1-3-20(31)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)29(24)13-17-12-22(36(2,34)35)30(28-17)14-21(27)32/h4-12H,3,13-14H2,1-2H3,(H2,27,32)