(E)-3-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[2-fluoranyl-4-(trifluoromethyl)phenyl]-N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]prop-2-enamide Openeye Name: (E)-N-[(1S)-1-benzyl-2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[[4-(2-pyridyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-N-[[4-(2-pyridinyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[(4-pyridin-2-ylphenyl)methyl]prop-2-enamide Traditional Name: (E)-N-[(1S)-1-benzyl-2-(4-benzylpiperazino)-2-keto-ethyl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(2-pyridyl)benzyl]acrylamide Formula: C42H38F4N4O2 MolecularWeight: 706.770333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N(CC4=CC=C(C=C4)C5=CC=CC=N5)C(=O)C=CC6=C(C=C(C=C6)C(F)(F)F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)N(CC4=CC=C(C=C4)C5=CC=CC=N5)C(=O)/C=C/C6=C(C=C(C=C6)C(F)(F)F)F

InChI

InChI=1S/C42H38F4N4O2/c43-37-28-36(42(44,45)46)20-18-34(37)19-21-40(51)50(30-33-14-16-35(17-15-33)38-13-7-8-22-47-38)39(27-31-9-3-1-4-10-31)41(52)49-25-23-48(24-26-49)29-32-11-5-2-6-12-32/h1-22,28,39H,23-27,29-30H2/b21-19+/t39-/m0/s1