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

Systemtic Name: 2-(3-carbamimidoylphenyl)-N-(3-fluoranyl-4-morpholin-4-yl-phenyl)-5-methyl-pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-N-(3-fluoro-4-morpholino-phenyl)-5-methyl-pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-N-[3-fluoro-4-(4-morpholinyl)phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)-5-methylpyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-N-(3-fluoro-4-morpholino-phenyl)-5-methyl-pyrazole-3-carboxamide Formula: C22H23FN6O2 MolecularWeight: 422.455423

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN6O2/c1-14-11-20(29(27-14)17-4-2-3-15(12-17)21(24)25)22(30)26-16-5-6-19(18(23)13-16)28-7-9-31-10-8-28/h2-6,11-13H,7-10H2,1H3,(H3,24,25)(H,26,30)