N-[bis(azanyl)methylidene]-1-isoquinolin-1-yl-4-(trifluoromethyl)pyrrole-3-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-isoquinolin-1-yl-4-(trifluoromethyl)pyrrole-3-carboxamide Openeye Name: N-(diaminomethylene)-1-(1-isoquinolyl)-4-(trifluoromethyl)pyrrole-3-carboxamide CAS Name: N-(diaminomethylidene)-1-(1-isoquinolinyl)-4-(trifluoromethyl)-3-pyrrolecarboxamide IUPAC Name: N-(diaminomethylidene)-1-isoquinolin-1-yl-4-(trifluoromethyl)pyrrole-3-carboxamide Traditional Name: N-(diaminomethylene)-1-(1-isoquinolyl)-4-(trifluoromethyl)pyrrole-3-carboxamide Formula: C16H12F3N5O MolecularWeight: 347.29459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2N3C=C(C(=C3)C(F)(F)F)C(=O)N=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2N3C=C(C(=C3)C(F)(F)F)C(=O)N=C(N)N

InChI

InChI=1S/C16H12F3N5O/c17-16(18,19)12-8-24(7-11(12)14(25)23-15(20)21)13-10-4-2-1-3-9(10)5-6-22-13/h1-8H,(H4,20,21,23,25)