2-(3-cyanophenyl)-N-(3-fluoranyl-4-morpholin-4-yl-phenyl)-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 2-(3-cyanophenyl)-N-(3-fluoranyl-4-morpholin-4-yl-phenyl)-5-methyl-pyrazole-3-carboxamide Openeye Name: 2-(3-cyanophenyl)-N-(3-fluoro-4-morpholino-phenyl)-5-methyl-pyrazole-3-carboxamide CAS Name: 2-(3-cyanophenyl)-N-[3-fluoro-4-(4-morpholinyl)phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-(3-cyanophenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)-5-methylpyrazole-3-carboxamide Traditional Name: 2-(3-cyanophenyl)-N-(3-fluoro-4-morpholino-phenyl)-5-methyl-pyrazole-3-carboxamide Formula: C22H20FN5O2 MolecularWeight: 405.424903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)F)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)F)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H20FN5O2/c1-15-11-21(28(26-15)18-4-2-3-16(12-18)14-24)22(29)25-17-5-6-20(19(23)13-17)27-7-9-30-10-8-27/h2-6,11-13H,7-10H2,1H3,(H,25,29)