2-methyl-N-[(E)-1-phenylbutan-2-ylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-methyl-N-[(E)-1-phenylbutan-2-ylideneamino]quinoline-4-carboxamide Openeye Name: N-[(E)-1-benzylpropylideneamino]-2-methyl-quinoline-4-carboxamide CAS Name: 2-methyl-N-[(E)-1-phenylbutan-2-ylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-methyl-N-[(E)-1-phenylbutan-2-ylideneamino]quinoline-4-carboxamide Traditional Name: N-[(E)-1-benzylpropylideneamino]-2-methyl-cinchoninamide Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C)CC3=CC=CC=C3

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C)/CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O/c1-3-17(14-16-9-5-4-6-10-16)23-24-21(25)19-13-15(2)22-20-12-8-7-11-18(19)20/h4-13H,3,14H2,1-2H3,(H,24,25)/b23-17+