N-(3-fluoranyl-4-isoquinolin-5-yl-phenyl)-5-methyl-3-oxidanylidene-1-[(2R)-2-oxidanylpropyl]-2-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-fluoranyl-4-isoquinolin-5-yl-phenyl)-5-methyl-3-oxidanylidene-1-[(2R)-2-oxidanylpropyl]-2-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-fluoro-4-(5-isoquinolyl)phenyl]-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-fluoro-4-(5-isoquinolinyl)phenyl]-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(3-fluoro-4-isoquinolin-5-ylphenyl)-1-[(2R)-2-hydroxypropyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide Traditional Name: N-[3-fluoro-4-(5-isoquinolyl)phenyl]-1-[(2R)-2-hydroxypropyl]-3-keto-5-methyl-2-phenyl-3-pyrazoline-4-carboxamide Formula: C29H25FN4O3 MolecularWeight: 496.532203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC(C)O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C4=CC=CC5=C4C=CN=C5)F

Isomeric SMILES

CC1=C(C(=O)N(N1C[C@@H](C)O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C4=CC=CC5=C4C=CN=C5)F

InChI

InChI=1S/C29H25FN4O3/c1-18(35)17-33-19(2)27(29(37)34(33)22-8-4-3-5-9-22)28(36)32-21-11-12-25(26(30)15-21)24-10-6-7-20-16-31-14-13-23(20)24/h3-16,18,35H,17H2,1-2H3,(H,32,36)/t18-/m1/s1