[1-ethyl-5-methyl-2-naphthalen-1-yl-4-(phenylmethyl)-3H-pyrazol-3-yl] 4-(trifluoromethylsulfonyl)benzoate

Systemtic Name: [1-ethyl-5-methyl-2-naphthalen-1-yl-4-(phenylmethyl)-3H-pyrazol-3-yl] 4-(trifluoromethylsulfonyl)benzoate Openeye Name: [4-benzyl-1-ethyl-5-methyl-2-(1-naphthyl)-3H-pyrazol-3-yl] 4-(trifluoromethylsulfonyl)benzoate CAS Name: 4-(trifluoromethylsulfonyl)benzoic acid [1-ethyl-5-methyl-2-(1-naphthalenyl)-4-(phenylmethyl)-3H-pyrazol-3-yl] ester IUPAC Name: (4-benzyl-1-ethyl-5-methyl-2-naphthalen-1-yl-3H-pyrazol-3-yl) 4-(trifluoromethylsulfonyl)benzoate Traditional Name: 4-triflylbenzoic acid [4-benzyl-1-ethyl-5-methyl-2-(1-naphthyl)-3-pyrazolin-3-yl] ester Formula: C31H27F3N2O4S MolecularWeight: 580.61729

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N1C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)CC5=CC=CC=C5)C

Isomeric SMILES

CCN1C(=C(C(N1C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H27F3N2O4S/c1-3-35-21(2)27(20-22-10-5-4-6-11-22)29(36(35)28-15-9-13-23-12-7-8-14-26(23)28)40-30(37)24-16-18-25(19-17-24)41(38,39)31(32,33)34/h4-19,29H,3,20H2,1-2H3