N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]pyrazine-2-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]pyrazine-2-carboxamide Openeye Name: N-[(1E)-1-[cyano-(4-phenylphenyl)methylene]-2,2-dimethyl-propyl]pyrazine-2-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-2-pyrazinecarboxamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]pyrazine-2-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(4-phenylphenyl)vinyl]pyrazinamide Formula: C24H22N4O MolecularWeight: 382.45768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O/c1-24(2,3)22(28-23(29)21-16-26-13-14-27-21)20(15-25)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14,16H,1-3H3,(H,28,29)/b22-20-