N-[azanyl(phenylazanyl)methylidene]-6-(3-methylbutanoylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-6-(3-methylbutanoylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-6-(3-methylbutanoylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-6-[(3-methyl-1-oxobutyl)amino]-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-6-(3-methylbutanoylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-6-(isovalerylamino)cinchoninamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-14(2)12-20(28)25-16-8-9-19-18(13-16)17(10-11-24-19)21(29)27-22(23)26-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,25,28)(H3,23,26,27,29)