1-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]-3-methyl-butan-1-one Formula: C18H21FN2O2S MolecularWeight: 348.434943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C18H21FN2O2S/c1-12(2)10-17(22)20-6-8-21(9-7-20)18(23)16-11-13-14(19)4-3-5-15(13)24-16/h3-5,11-12H,6-10H2,1-2H3