N-[azanyl(phenylazanyl)methylidene]-3-(2-methylpropyl)quinoline-4-carboxamide

Systemtic Name: N-[azanyl(phenylazanyl)methylidene]-3-(2-methylpropyl)quinoline-4-carboxamide Openeye Name: N-[amino(anilino)methylene]-3-isobutyl-quinoline-4-carboxamide CAS Name: N-[amino(anilino)methylidene]-3-(2-methylpropyl)-4-quinolinecarboxamide IUPAC Name: N-[amino(anilino)methylidene]-3-(2-methylpropyl)quinoline-4-carboxamide Traditional Name: N-[amino(anilino)methylene]-3-isobutyl-cinchoninamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=CC=CC=C2N=C1)C(=O)N=C(N)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C2=CC=CC=C2N=C1)C(=O)N=C(N)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O/c1-14(2)12-15-13-23-18-11-7-6-10-17(18)19(15)20(26)25-21(22)24-16-8-4-3-5-9-16/h3-11,13-14H,12H2,1-2H3,(H3,22,24,25,26)