(4-ethylphenyl)-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]methanone Formula: C22H21FN2O2S MolecularWeight: 396.477743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H21FN2O2S/c1-2-15-6-8-16(9-7-15)21(26)24-10-12-25(13-11-24)22(27)20-14-17-18(23)4-3-5-19(17)28-20/h3-9,14H,2,10-13H2,1H3