1-(4-bromophenyl)-4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-bromophenyl)-4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-bromophenyl)-4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-bromophenyl)-4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-bromophenyl)-4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-bromophenyl)-4-[4-(3-fluoro-4-methoxy-benzyl)piperazino]butane-1,4-dione Formula: C22H24BrFN2O3 MolecularWeight: 463.339963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C22H24BrFN2O3/c1-29-21-8-2-16(14-19(21)24)15-25-10-12-26(13-11-25)22(28)9-7-20(27)17-3-5-18(23)6-4-17/h2-6,8,14H,7,9-13,15H2,1H3