N-[azanyl(phenylazanyl)methylidene]-7-(pentanoylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-7-(pentanoylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-7-(pentanoylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-7-(1-oxopentylamino)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-7-(pentanoylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-7-(valerylamino)cinchoninamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=NC=CC(=C2C=C1)C(=O)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC2=NC=CC(=C2C=C1)C(=O)N=C(N)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N5O2/c1-2-3-9-20(28)25-16-10-11-17-18(12-13-24-19(17)14-16)21(29)27-22(23)26-15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,25,28)(H3,23,26,27,29)