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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=CC=C4F)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=CC=C4F)C#N)C(=O)C5=CC=CS5

InChI

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