N-(cyanomethyl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(cyanomethyl)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(cyanomethyl)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(cyanomethyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(cyanomethyl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(cyanomethyl)-2-phenyl-cinchoninamide Formula: C18H13N3O MolecularWeight: 287.31532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC#N

InChI

InChI=1S/C18H13N3O/c19-10-11-20-18(22)15-12-17(13-6-2-1-3-7-13)21-16-9-5-4-8-14(15)16/h1-9,12H,11H2,(H,20,22)