1-(azepan-1-yl)-2-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperazino]ethanone Formula: C21H25ClFN3O2S MolecularWeight: 437.958503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClFN3O2S/c22-19-16-6-5-15(23)13-17(16)29-20(19)21(28)26-11-9-24(10-12-26)14-18(27)25-7-3-1-2-4-8-25/h5-6,13H,1-4,7-12,14H2