(4-fluoranyl-1-benzothiophen-2-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-fluoranyl-1-benzothiophen-2-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-fluorobenzothiophen-2-yl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: (4-fluoro-1-benzothiophen-2-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-fluoro-1-benzothiophen-2-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (4-fluorobenzothiophen-2-yl)-[4-(3-fluoro-4-methoxy-benzyl)piperazino]methanone Formula: C21H20F2N2O2S MolecularWeight: 402.457506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)F

InChI

InChI=1S/C21H20F2N2O2S/c1-27-18-6-5-14(11-17(18)23)13-24-7-9-25(10-8-24)21(26)20-12-15-16(22)3-2-4-19(15)28-20/h2-6,11-12H,7-10,13H2,1H3