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

Systemtic Name: N-[bis(azanyl)methylidene]-2-(2-butylphenyl)quinoline-4-carboxamide Openeye Name: 2-(2-butylphenyl)-N-(diaminomethylene)quinoline-4-carboxamide CAS Name: 2-(2-butylphenyl)-N-(diaminomethylidene)-4-quinolinecarboxamide IUPAC Name: 2-(2-butylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide Traditional Name: 2-(2-butylphenyl)-N-(diaminomethylene)cinchoninamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

Isomeric SMILES

CCCCC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C21H22N4O/c1-2-3-8-14-9-4-5-10-15(14)19-13-17(20(26)25-21(22)23)16-11-6-7-12-18(16)24-19/h4-7,9-13H,2-3,8H2,1H3,(H4,22,23,25,26)