2-(3-aminocarbonylphenyl)-N-[4-(2-azanylidenepyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-aminocarbonylphenyl)-N-[4-(2-azanylidenepyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-carbamoylphenyl)-N-[4-(2-iminopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: 2-(3-carbamoylphenyl)-N-[4-(2-imino-1-pyrrolidinyl)phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamoylphenyl)-N-[4-(2-iminopyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-carbamoylphenyl)-N-[4-(2-iminopyrrolidino)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C22H19F3N6O2 MolecularWeight: 456.42047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=N)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=O)N)C(F)(F)F

Isomeric SMILES

C1CC(=N)N(C1)C2=CC=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=O)N)C(F)(F)F

InChI

InChI=1S/C22H19F3N6O2/c23-22(24,25)18-12-17(31(29-18)16-4-1-3-13(11-16)20(27)32)21(33)28-14-6-8-15(9-7-14)30-10-2-5-19(30)26/h1,3-4,6-9,11-12,26H,2,5,10H2,(H2,27,32)(H,28,33)