N-[4-(1-azanylisoquinolin-5-yl)-3-fluoranyl-phenyl]-5-methyl-1-(2-methyl-2-oxidanyl-propyl)-3-oxidanylidene-2-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(1-azanylisoquinolin-5-yl)-3-fluoranyl-phenyl]-5-methyl-1-(2-methyl-2-oxidanyl-propyl)-3-oxidanylidene-2-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(1-amino-5-isoquinolyl)-3-fluoro-phenyl]-1-(2-hydroxy-2-methyl-propyl)-5-methyl-3-oxo-2-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-amino-5-isoquinolinyl)-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(1-aminoisoquinolin-5-yl)-3-fluorophenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(1-amino-5-isoquinolyl)-3-fluoro-phenyl]-1-(2-hydroxy-2-methyl-propyl)-3-keto-5-methyl-2-phenyl-3-pyrazoline-4-carboxamide Formula: C30H28FN5O3 MolecularWeight: 525.573423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C4=CC=CC5=C4C=CN=C5N)F

Isomeric SMILES

CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)C4=CC=CC5=C4C=CN=C5N)F

InChI

InChI=1S/C30H28FN5O3/c1-18-26(29(38)36(20-8-5-4-6-9-20)35(18)17-30(2,3)39)28(37)34-19-12-13-23(25(31)16-19)21-10-7-11-24-22(21)14-15-33-27(24)32/h4-16,39H,17H2,1-3H3,(H2,32,33)(H,34,37)