(3,4-dimethoxyphenyl)-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[(4-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(4-fluorobenzothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(4-fluorobenzothiophene-2-carbonyl)piperazino]methanone Formula: C22H21FN2O4S MolecularWeight: 428.476543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC=C4S3)F)OC

InChI

InChI=1S/C22H21FN2O4S/c1-28-17-7-6-14(12-18(17)29-2)21(26)24-8-10-25(11-9-24)22(27)20-13-15-16(23)4-3-5-19(15)30-20/h3-7,12-13H,8-11H2,1-2H3