N-[2-[4-(3-cyano-7,8-dimethyl-quinolin-2-yl)piperazin-1-yl]ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(3-cyano-7,8-dimethyl-quinolin-2-yl)piperazin-1-yl]ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-(3-cyano-7,8-dimethyl-2-quinolyl)piperazin-1-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-(3-cyano-7,8-dimethyl-2-quinolinyl)-1-piperazinyl]ethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-(3-cyano-7,8-dimethylquinolin-2-yl)piperazin-1-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(3-cyano-7,8-dimethyl-2-quinolyl)piperazino]ethyl]-2-fluoro-benzamide Formula: C25H26FN5O MolecularWeight: 431.505243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCN(CC3)CCNC(=O)C4=CC=CC=C4F)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)N3CCN(CC3)CCNC(=O)C4=CC=CC=C4F)C#N)C

InChI

InChI=1S/C25H26FN5O/c1-17-7-8-19-15-20(16-27)24(29-23(19)18(17)2)31-13-11-30(12-14-31)10-9-28-25(32)21-5-3-4-6-22(21)26/h3-8,15H,9-14H2,1-2H3,(H,28,32)