1-methyl-N-[4-[(4-methylphenyl)methylamino]-4-oxidanylidene-butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-methyl-N-[4-[(4-methylphenyl)methylamino]-4-oxidanylidene-butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-methyl-N-[4-oxo-4-(p-tolylmethylamino)butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-methyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]-3-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]-3-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-keto-4-[(4-methylbenzyl)amino]butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H21F3N4O2 MolecularWeight: 382.38015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCCNC(=O)C2=CN(N=C2C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCCNC(=O)C2=CN(N=C2C(F)(F)F)C

InChI

InChI=1S/C18H21F3N4O2/c1-12-5-7-13(8-6-12)10-23-15(26)4-3-9-22-17(27)14-11-25(2)24-16(14)18(19,20)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,27)(H,23,26)