N-(3-fluoranyl-4-isoquinolin-5-yl-phenyl)-1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-fluoranyl-4-isoquinolin-5-yl-phenyl)-1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazole-4-carboxamide Openeye Name: N-[3-fluoro-4-(5-isoquinolyl)phenyl]-1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-fluoro-4-(5-isoquinolinyl)phenyl]-1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(3-fluoro-4-isoquinolin-5-ylphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide Traditional Name: N-[3-fluoro-4-(5-isoquinolyl)phenyl]-3-keto-1,5-dimethyl-2-phenyl-3-pyrazoline-4-carboxamide Formula: C27H21FN4O2 MolecularWeight: 452.479643

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21FN4O2/c1-17-25(27(34)32(31(17)2)20-8-4-3-5-9-20)26(33)30-19-11-12-23(24(28)15-19)22-10-6-7-18-16-29-14-13-21(18)22/h3-16H,1-2H3,(H,30,33)