[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-fluorobenzothiophen-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: (4-fluorobenzothiophen-2-yl)-(4-piperonylpiperazino)methanone Formula: C21H19FN2O3S MolecularWeight: 398.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=CC=C5S4)F

InChI

InChI=1S/C21H19FN2O3S/c22-16-2-1-3-19-15(16)11-20(28-19)21(25)24-8-6-23(7-9-24)12-14-4-5-17-18(10-14)27-13-26-17/h1-5,10-11H,6-9,12-13H2