1-(4-methylphenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C22H20F3N5O2 MolecularWeight: 443.42171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O2/c1-3-12-26-21(32)29-16-8-6-15(7-9-16)28-20(31)18-13-27-30(19(18)22(23,24)25)17-10-4-14(2)5-11-17/h3-11,13H,1,12H2,2H3,(H,28,31)(H2,26,29,32)