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

Systemtic Name: 1-[4-[4-[4-(6-fluoranyl-2H-indazol-3-yl)-2-iodanyl-piperidin-1-yl]butoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[4-[4-(6-fluoro-2H-indazol-3-yl)-2-iodo-1-piperidyl]butoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[4-[4-(6-fluoro-2H-indazol-3-yl)-2-iodo-1-piperidinyl]butoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[4-[4-(6-fluoro-2H-indazol-3-yl)-2-iodopiperidin-1-yl]butoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[4-[4-(6-fluoro-2H-indazol-3-yl)-2-iodo-piperidino]butoxy]-3-methoxy-phenyl]ethanone Formula: C25H29FIN3O3 MolecularWeight: 565.418933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCC(CC2I)C3=C4C=CC(=CC4=NN3)F)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCCN2CCC(CC2I)C3=C4C=CC(=CC4=NN3)F)OC

InChI

InChI=1S/C25H29FIN3O3/c1-16(31)17-5-8-22(23(13-17)32-2)33-12-4-3-10-30-11-9-18(14-24(30)27)25-20-7-6-19(26)15-21(20)28-29-25/h5-8,13,15,18,24H,3-4,9-12,14H2,1-2H3,(H,28,29)