2-[4-(7-fluoranyl-2-methyl-quinolin-4-yl)carbonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: 2-[4-(7-fluoranyl-2-methyl-quinolin-4-yl)carbonylpiperazin-1-yl]-2-(4-fluorophenyl)ethanenitrile Openeye Name: 2-[4-(7-fluoro-2-methyl-quinoline-4-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: 2-[4-[(7-fluoro-2-methyl-4-quinolinyl)-oxomethyl]-1-piperazinyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: 2-[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: 2-[4-(7-fluoro-2-methyl-quinoline-4-carbonyl)piperazino]-2-(4-fluorophenyl)acetonitrile Formula: C23H20F2N4O MolecularWeight: 406.427906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCN(CC3)C(C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCN(CC3)C(C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20F2N4O/c1-15-12-20(19-7-6-18(25)13-21(19)27-15)23(30)29-10-8-28(9-11-29)22(14-26)16-2-4-17(24)5-3-16/h2-7,12-13,22H,8-11H2,1H3