2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-N-[4-(1-imidazolyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-N-(4-imidazol-1-ylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C21H16F3N7O MolecularWeight: 439.39325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)N4C=CN=C4)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)N4C=CN=C4)C(=N)N

InChI

InChI=1S/C21H16F3N7O/c22-21(23,24)18-11-17(31(29-18)16-3-1-2-13(10-16)19(25)26)20(32)28-14-4-6-15(7-5-14)30-9-8-27-12-30/h1-12H,(H3,25,26)(H,28,32)