N-[azanyl(phenylazanyl)methylidene]-5-(2-methylpropanoylamino)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-5-(2-methylpropanoylamino)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-5-(2-methylpropanoylamino)quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-5-[(2-methyl-1-oxopropyl)amino]-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-5-(2-methylpropanoylamino)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-5-(isobutyrylamino)cinchoninamide Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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