1-methyl-N-[4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-methyl-N-[4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-3-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(benzylamino)-4-oxo-butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-methyl-N-[4-oxo-4-[(phenylmethyl)amino]butyl]-3-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(benzylamino)-4-oxobutyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-(benzylamino)-4-keto-butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H19F3N4O2 MolecularWeight: 368.35357

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(F)(F)F)C(=O)NCCCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C(=N1)C(F)(F)F)C(=O)NCCCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H19F3N4O2/c1-24-11-13(15(23-24)17(18,19)20)16(26)21-9-5-8-14(25)22-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,26)(H,22,25)