2-(3-carbamimidoylphenyl)-N-(3-chloranyl-4-morpholin-4-yl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-carbamimidoylphenyl)-N-(3-chloranyl-4-morpholin-4-yl-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-N-(3-chloro-4-morpholino-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-N-[3-chloro-4-(4-morpholinyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-N-(3-chloro-4-morpholino-phenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C22H20ClF3N6O2 MolecularWeight: 492.88141

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=N)N)C(F)(F)F)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=N)N)C(F)(F)F)Cl

InChI

InChI=1S/C22H20ClF3N6O2/c23-16-11-14(4-5-17(16)31-6-8-34-9-7-31)29-21(33)18-12-19(22(24,25)26)30-32(18)15-3-1-2-13(10-15)20(27)28/h1-5,10-12H,6-9H2,(H3,27,28)(H,29,33)