N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-cyano-4-[(phenylmethyl)amino]quinolin-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]-4-fluoro-benzamide CAS Name: N-[3-cyano-4-[(phenylmethyl)amino]-2-quinolinyl]-4-fluorobenzamide IUPAC Name: N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-fluorobenzamide Traditional Name: N-[4-(benzylamino)-3-cyano-2-quinolyl]-4-fluoro-benzamide Formula: C24H17FN4O MolecularWeight: 396.416383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C24H17FN4O/c25-18-12-10-17(11-13-18)24(30)29-23-20(14-26)22(19-8-4-5-9-21(19)28-23)27-15-16-6-2-1-3-7-16/h1-13H,15H2,(H2,27,28,29,30)