4-[[3-[(2-methylphenyl)carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[[3-[(2-methylphenyl)carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[[3-(o-tolylcarbamoylamino)phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 4-[[3-[[(2-methylanilino)-oxomethyl]amino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[[3-[(2-methylphenyl)carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[[3-(o-tolylcarbamoylamino)benzyl]amino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid Formula: C21H21F3N6O4 MolecularWeight: 478.42445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)CNC3=C(NN=C3)C(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)CNC3=C(NN=C3)C(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H20N6O2.C2HF3O2/c1-12-5-2-3-8-15(12)24-19(27)23-14-7-4-6-13(9-14)10-21-16-11-22-25-17(16)18(20)26;3-2(4,5)1(6)7/h2-9,11,21H,10H2,1H3,(H2,20,26)(H,22,25)(H2,23,24,27);(H,6,7)