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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-3-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(3-thiophenyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-(3-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=C(C=C4)F)C#N)C(=O)C5=CSC=C5

Isomeric SMILES

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

InChI

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