N-[4-(cyanomethyl)phenyl]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-cyclopropyl-cinchoninamide Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C21H17N3O/c22-12-11-14-5-9-16(10-6-14)23-21(25)18-13-20(15-7-8-15)24-19-4-2-1-3-17(18)19/h1-6,9-10,13,15H,7-8,11H2,(H,23,25)