N-[(E)-1-cyano-3,3-dimethyl-1-[3-(phenylmethyl)phenyl]but-1-en-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(phenylmethyl)phenyl]but-1-en-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1E)-1-[(3-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(phenylmethyl)phenyl]but-1-en-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-1-(3-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-2-(3-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]-piperonylamide Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC(=CC=C1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC(=CC=C1)CC2=CC=CC=C2)/NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H26N2O3/c1-28(2,3)26(30-27(31)22-12-13-24-25(16-22)33-18-32-24)23(17-29)21-11-7-10-20(15-21)14-19-8-5-4-6-9-19/h4-13,15-16H,14,18H2,1-3H3,(H,30,31)/b26-23-