3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-4-morpholin-4-yl-benzenecarbonitrile

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-4-morpholin-4-yl-benzenecarbonitrile Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-4-morpholino-benzonitrile CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-oxomethyl]-4-(4-morpholinyl)benzonitrile IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-4-morpholin-4-ylbenzonitrile Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-4-morpholino-benzonitrile Formula: C24H25FN4O3 MolecularWeight: 436.478703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)C#N)N4CCOCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)C#N)N4CCOCC4)F

InChI

InChI=1S/C24H25FN4O3/c1-17(30)19-3-5-23(21(25)15-19)27-6-8-29(9-7-27)24(31)20-14-18(16-26)2-4-22(20)28-10-12-32-13-11-28/h2-5,14-15H,6-13H2,1H3