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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-[2-(2-thienyl)acetyl]piperazino]quinoline-3-carbonitrile Formula: C27H23FN4O2S MolecularWeight: 486.560523

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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)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)C(=O)CC5=CC=CS5

InChI

InChI=1S/C27H23FN4O2S/c28-20-9-7-19(8-10-20)18-32-24-6-2-1-5-22(24)26(23(17-29)27(32)34)31-13-11-30(12-14-31)25(33)16-21-4-3-15-35-21/h1-10,15H,11-14,16,18H2