3-[5-fluoranyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[5-fluoranyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(2-thenoyl)piperazino]propan-1-one Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)CCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)CCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H26FN3O3S/c1-34-20-7-4-18(5-8-20)26-21(22-17-19(28)6-10-23(22)29-26)9-11-25(32)30-12-14-31(15-13-30)27(33)24-3-2-16-35-24/h2-8,10,16-17,29H,9,11-15H2,1H3