N-[azanyl(phenylazanyl)methylidene]-7-(2,2-dimethylpropanoylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-7-(2,2-dimethylpropanoylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-7-(2,2-dimethylpropanoylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-7-[(2,2-dimethyl-1-oxopropyl)amino]-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-7-(2,2-dimethylpropanoylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-7-(pivaloylamino)cinchoninamide Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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