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

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(phenylmethyl)phenyl]but-1-en-2-yl]pyrazine-2-carboxamide Openeye Name: N-[(1E)-1-[(3-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]pyrazine-2-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(phenylmethyl)phenyl]but-1-en-2-yl]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-1-(3-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]pyrazine-2-carboxamide Traditional Name: N-[(E)-2-(3-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]pyrazinamide Formula: C25H24N4O MolecularWeight: 396.48426

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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=NC=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O/c1-25(2,3)23(29-24(30)22-17-27-12-13-28-22)21(16-26)20-11-7-10-19(15-20)14-18-8-5-4-6-9-18/h4-13,15,17H,14H2,1-3H3,(H,29,30)/b23-21-