N-[3-cyano-6-(dimethylamino)-4-[(phenylmethyl)amino]quinolin-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-cyano-6-(dimethylamino)-4-[(phenylmethyl)amino]quinolin-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[4-(benzylamino)-3-cyano-6-(dimethylamino)-2-quinolyl]-4-fluoro-benzamide CAS Name: N-[3-cyano-6-(dimethylamino)-4-[(phenylmethyl)amino]-2-quinolinyl]-4-fluorobenzamide IUPAC Name: N-[4-(benzylamino)-3-cyano-6-(dimethylamino)quinolin-2-yl]-4-fluorobenzamide Traditional Name: N-[4-(benzylamino)-3-cyano-6-(dimethylamino)-2-quinolyl]-4-fluoro-benzamide Formula: C26H22FN5O MolecularWeight: 439.484183

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N=C(C(=C2NCC3=CC=CC=C3)C#N)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FN5O/c1-32(2)20-12-13-23-21(14-20)24(29-16-17-6-4-3-5-7-17)22(15-28)25(30-23)31-26(33)18-8-10-19(27)11-9-18/h3-14H,16H2,1-2H3,(H2,29,30,31,33)