1-[4-[4-[4-(6-fluoranyl-1H-indazol-3-yl)-2-iodanyl-piperazin-1-yl]butoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-(6-fluoranyl-1H-indazol-3-yl)-2-iodanyl-piperazin-1-yl]butoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[4-[4-(6-fluoro-1H-indazol-3-yl)-2-iodo-piperazin-1-yl]butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[4-[4-(6-fluoro-1H-indazol-3-yl)-2-iodo-1-piperazinyl]butoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[4-[4-(6-fluoro-1H-indazol-3-yl)-2-iodopiperazin-1-yl]butoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-[4-(6-fluoro-1H-indazol-3-yl)-2-iodo-piperazino]butoxy]-3-methoxy-phenyl]ethanone Formula: C24H28FIN4O3 MolecularWeight: 566.406993

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2I)C3=NNC4=C3C=CC(=C4)F)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCN(CC2I)C3=NNC4=C3C=CC(=C4)F)OC

InChI

InChI=1S/C24H28FIN4O3/c1-16(31)17-5-8-21(22(13-17)32-2)33-12-4-3-9-29-10-11-30(15-23(29)26)24-19-7-6-18(25)14-20(19)27-28-24/h5-8,13-14,23H,3-4,9-12,15H2,1-2H3,(H,27,28)