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

Systemtic Name: N-[4-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[4-[(4-methoxyphenyl)methylamino]-4-oxo-butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[4-[(4-methoxyphenyl)methylamino]-4-oxobutyl]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-[(4-methoxyphenyl)methylamino]-4-oxobutyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-keto-4-(p-anisylamino)butyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H21F3N4O3 MolecularWeight: 398.37955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N4O3/c1-25-11-14(16(24-25)18(19,20)21)17(27)22-9-3-4-15(26)23-10-12-5-7-13(28-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,27)(H,23,26)