1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(2-thiophen-3-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(2-thiophen-3-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[2-(thiophene-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[2-[oxo(3-thiophenyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[2-(thiophene-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[2-(3-thenoyl)piperazino]quinoline-3-carbonitrile Formula: C26H21FN4O2S MolecularWeight: 472.533943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)C2=CSC=C2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1CN(C(CN1)C(=O)C2=CSC=C2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C26H21FN4O2S/c27-19-7-5-17(6-8-19)15-31-22-4-2-1-3-20(22)24(21(13-28)26(31)33)30-11-10-29-14-23(30)25(32)18-9-12-34-16-18/h1-9,12,16,23,29H,10-11,14-15H2