1-(azepan-1-yl)-2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(5-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-fluorobenzothiophene-2-carbonyl)piperazino]ethanone Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H26FN3O2S/c22-17-5-6-18-16(13-17)14-19(28-18)21(27)25-11-9-23(10-12-25)15-20(26)24-7-3-1-2-4-8-24/h5-6,13-14H,1-4,7-12,15H2