1-(4-methylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H25F3N4O2 MolecularWeight: 422.44401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3=O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCCC3=O)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O2/c1-15-7-9-16(10-8-15)28-19(21(22,23)24)17(14-26-28)20(30)25-11-5-13-27-12-4-2-3-6-18(27)29/h7-10,14H,2-6,11-13H2,1H3,(H,25,30)