N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-[4-methoxy-2-[[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-2-[4-methoxy-2-[[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Openeye Name: 2-[2-[[3-(benzylamino)-3-oxo-propyl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide CAS Name: N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-[4-methoxy-2-[oxo-[[3-oxo-3-[(phenylmethyl)amino]propyl]amino]methyl]phenyl]-5-(trifluoromethyl)-3-pyrazolecarboxamide IUPAC Name: 2-[2-[[3-(benzylamino)-3-oxopropyl]carbamoyl]-4-methoxyphenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Traditional Name: 2-[2-[[3-(benzylamino)-3-keto-propyl]carbamoyl]-4-methoxy-phenyl]-N-[2-fluoro-4-(2-mesylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide Formula: C36H31F4N5O6S MolecularWeight: 737.719853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F)C(=O)NCCC(=O)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)C)F)C(=O)NCCC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C36H31F4N5O6S/c1-51-24-13-15-29(26(19-24)34(47)41-17-16-33(46)42-21-22-8-4-3-5-9-22)45-30(20-32(44-45)36(38,39)40)35(48)43-28-14-12-23(18-27(28)37)25-10-6-7-11-31(25)52(2,49)50/h3-15,18-20H,16-17,21H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)