N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]quinoxaline-2-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]quinoxaline-2-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]quinoxaline-2-carboxamide Traditional Name: N-(3-cyano-4-neopentyloxy-phenyl)quinoxaline-2-carboxamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)C#N

InChI

InChI=1S/C21H20N4O2/c1-21(2,3)13-27-19-9-8-15(10-14(19)11-22)24-20(26)18-12-23-16-6-4-5-7-17(16)25-18/h4-10,12H,13H2,1-3H3,(H,24,26)