N-[azanyl(phenylazanyl)methylidene]-6-(butanoylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-6-(butanoylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-6-(butanoylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-6-(1-oxobutylamino)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-6-(butanoylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-6-butyramido-cinchoninamide Formula: C21H21N5O2 MolecularWeight: 375.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=CN=C2C=C1)C(=O)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=CN=C2C=C1)C(=O)N=C(N)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2/c1-2-6-19(27)24-15-9-10-18-17(13-15)16(11-12-23-18)20(28)26-21(22)25-14-7-4-3-5-8-14/h3-5,7-13H,2,6H2,1H3,(H,24,27)(H3,22,25,26,28)