N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]furan-3-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]furan-3-carboxamide Openeye Name: N-[(1E)-1-[(4-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]furan-3-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-3-furancarboxamide IUPAC Name: N-[(E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]furan-3-carboxamide Traditional Name: N-[(E)-2-(4-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]-3-furamide Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC=C(C=C1)CC2=CC=CC=C2)NC(=O)C3=COC=C3

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC=C(C=C1)CC2=CC=CC=C2)/NC(=O)C3=COC=C3

InChI

InChI=1S/C25H24N2O2/c1-25(2,3)23(27-24(28)21-13-14-29-17-21)22(16-26)20-11-9-19(10-12-20)15-18-7-5-4-6-8-18/h4-14,17H,15H2,1-3H3,(H,27,28)/b23-22-