N1-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-N2,N2-diethyl-3,6-bis(fluoranyl)benzene-1,2-dicarboxamide

Systemtic Name: N1-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-N2,N2-diethyl-3,6-bis(fluoranyl)benzene-1,2-dicarboxamide Openeye Name: N1-[(1E)-1-[(4-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]-N2,N2-diethyl-3,6-difluoro-phthalamide CAS Name: N1-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-N2,N2-diethyl-3,6-difluorobenzene-1,2-dicarboxamide IUPAC Name: 1-N-[(E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-2-N,2-N-diethyl-3,6-difluorobenzene-1,2-dicarboxamide Traditional Name: N-[(E)-2-(4-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]-N',N'-diethyl-3,6-difluoro-phthalamide Formula: C32H33F2N3O2 MolecularWeight: 529.620126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=CC(=C1C(=O)NC(=C(C#N)C2=CC=C(C=C2)CC3=CC=CC=C3)C(C)(C)C)F)F

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=CC(=C1C(=O)N/C(=C(/C#N)\C2=CC=C(C=C2)CC3=CC=CC=C3)/C(C)(C)C)F)F

InChI

InChI=1S/C32H33F2N3O2/c1-6-37(7-2)31(39)28-26(34)18-17-25(33)27(28)30(38)36-29(32(3,4)5)24(20-35)23-15-13-22(14-16-23)19-21-11-9-8-10-12-21/h8-18H,6-7,19H2,1-5H3,(H,36,38)/b29-24-