3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]-1-(5-fluoranyl-1-benzothiophen-3-yl)propan-1-one

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]-1-(5-fluoranyl-1-benzothiophen-3-yl)propan-1-one Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]-1-(5-fluorobenzothiophen-3-yl)propan-1-one CAS Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1-piperazinyl]-1-(5-fluoro-1-benzothiophen-3-yl)-1-propanone IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]-1-(5-fluoro-1-benzothiophen-3-yl)propan-1-one Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazino]-1-(5-fluorobenzothiophen-3-yl)propan-1-one Formula: C24H25FN2O3S MolecularWeight: 440.530303

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)N3CCN(CC3)CCC(=O)C4=CSC5=C4C=C(C=C5)F

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)N3CCN(CC3)CCC(=O)C4=CSC5=C4C=C(C=C5)F

InChI

InChI=1S/C24H25FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16H,2,7-14H2