N-[azanyl(phenylazanyl)methylidene]-5-(propanoylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-5-(propanoylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-5-(propanoylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-5-(1-oxopropylamino)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-5-(propanoylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-5-propionamido-cinchoninamide Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC2=NC=CC(=C21)C(=O)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=CC2=NC=CC(=C21)C(=O)N=C(N)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O2/c1-2-17(26)24-16-10-6-9-15-18(16)14(11-12-22-15)19(27)25-20(21)23-13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,24,26)(H3,21,23,25,27)