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

Systemtic Name: 2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1-[[4-(trifluoromethyloxy)phenyl]methyl]quinoline-3-carbonitrile Openeye Name: 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carbonitrile CAS Name: 2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-quinolinecarbonitrile IUPAC Name: 2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carbonitrile Traditional Name: 2-keto-4-[4-(2-thenoyl)piperazino]-1-[4-(trifluoromethoxy)benzyl]quinoline-3-carbonitrile Formula: C27H21F3N4O3S MolecularWeight: 538.54085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)OC(F)(F)F)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)OC(F)(F)F)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H21F3N4O3S/c28-27(29,30)37-19-9-7-18(8-10-19)17-34-22-5-2-1-4-20(22)24(21(16-31)25(34)35)32-11-13-33(14-12-32)26(36)23-6-3-15-38-23/h1-10,15H,11-14,17H2