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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1N(C2=CC(=CC=C2)Cl)C(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=N)N)C(F)(F)F

Isomeric SMILES

C1COCCN1N(C2=CC(=CC=C2)Cl)C(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=N)N)C(F)(F)F

InChI

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