N-[bis(azanyl)methylidene]-2-[2-(2,2-dimethylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-[2-(2,2-dimethylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-2-[2-(2,2-dimethylpropyl)phenyl]quinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-2-[2-(2,2-dimethylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-2-[2-(2,2-dimethylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-2-(2-neopentylphenyl)cinchoninamide Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

Isomeric SMILES

CC(C)(C)CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C22H24N4O/c1-22(2,3)13-14-8-4-5-9-15(14)19-12-17(20(27)26-21(23)24)16-10-6-7-11-18(16)25-19/h4-12H,13H2,1-3H3,(H4,23,24,26,27)