[4-(1-adamantylcarbonyl)piperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(4-fluorobenzothiophen-2-yl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(4-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(4-fluorobenzothiophen-2-yl)methanone Formula: C24H27FN2O2S MolecularWeight: 426.546783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=CC=C3S2)F)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H27FN2O2S/c25-19-2-1-3-20-18(19)11-21(30-20)22(28)26-4-6-27(7-5-26)23(29)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-3,11,15-17H,4-10,12-14H2