1-[3-fluoranyl-4-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazino]phenyl]ethanone Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4)F

InChI

InChI=1S/C21H20FN3O2S/c1-15(26)16-4-5-18(17(22)14-16)24-9-11-25(12-10-24)21(27)20-19(6-13-28-20)23-7-2-3-8-23/h2-8,13-14H,9-12H2,1H3