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

Systemtic Name: (E)-N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: (E)-N-[(1S)-1-benzyl-2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide CAS Name: (E)-N-[(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-2-propenamide IUPAC Name: (E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide Traditional Name: (E)-N-(4-amylbenzyl)-N-[(1S)-1-benzyl-2-(4-benzylpiperazino)-2-keto-ethyl]-3-[4-(trifluoromethyl)phenyl]acrylamide Formula: C42H46F3N3O2 MolecularWeight: 681.82875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CN([C@@H](CC2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)/C=C/C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C42H46F3N3O2/c1-2-3-6-11-33-16-18-37(19-17-33)32-48(40(49)25-22-34-20-23-38(24-21-34)42(43,44)45)39(30-35-12-7-4-8-13-35)41(50)47-28-26-46(27-29-47)31-36-14-9-5-10-15-36/h4-5,7-10,12-25,39H,2-3,6,11,26-32H2,1H3/b25-22+/t39-/m0/s1