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

Systemtic Name: 4-[[3-[(3,4-dimethylphenyl)carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[[3-[(3,4-dimethylphenyl)carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: 4-[[3-[[(3,4-dimethylanilino)-oxomethyl]amino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[[3-[(3,4-dimethylphenyl)carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[[3-[(3,4-dimethylphenyl)carbamoylamino]benzyl]amino]-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid Formula: C22H23F3N6O4 MolecularWeight: 492.45103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)CNC3=C(NN=C3)C(=O)N)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)CNC3=C(NN=C3)C(=O)N)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H22N6O2.C2HF3O2/c1-12-6-7-16(8-13(12)2)25-20(28)24-15-5-3-4-14(9-15)10-22-17-11-23-26-18(17)19(21)27;3-2(4,5)1(6)7/h3-9,11,22H,10H2,1-2H3,(H2,21,27)(H,23,26)(H2,24,25,28);(H,6,7)