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

Systemtic Name: N-[bis(azanyl)methylidene]-2-[2-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-2-(2-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-2-[2-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-2-[2-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-2-(2-isobutoxyphenyl)cinchoninamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

Isomeric SMILES

CC(C)COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C21H22N4O2/c1-13(2)12-27-19-10-6-4-8-15(19)18-11-16(20(26)25-21(22)23)14-7-3-5-9-17(14)24-18/h3-11,13H,12H2,1-2H3,(H4,22,23,25,26)