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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O/c1-3-14(2)17-13-23-18-12-8-7-11-16(18)19(17)20(26)25-21(22)24-15-9-5-4-6-10-15/h4-14H,3H2,1-2H3,(H3,22,24,25,26)