sodium; cyanoboron(1-); 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]benzamide

Systemtic Name: sodium; cyanoboron(1-); 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: sodium; cyanoboron(1-); 2-(4-pyridylmethylamino)-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: sodium; cyanoboron(1-); 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: sodium; cyanoboron(1-); 2-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: sodium; cyanoboron(1-); 2-(4-pyridylmethylamino)-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C21H16BF3N4NaO MolecularWeight: 431.17392

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Descriptors Computed from Structure

Canonical SMILES:

[B-]C#N.C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)NCC3=CC=NC=C3.[Na+]

Isomeric SMILES

[B-]C#N.C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F)NCC3=CC=NC=C3.[Na+]

InChI

InChI=1S/C20H16F3N3O.CBN.Na/c21-20(22,23)15-5-7-16(8-6-15)26-19(27)17-3-1-2-4-18(17)25-13-14-9-11-24-12-10-14;2-1-3;/h1-12,25H,13H2,(H,26,27);;/q;-1;+1