methyl 5,6-bis(fluoranyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]heptanoate

Systemtic Name: methyl 5,6-bis(fluoranyl)-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]heptanoate Openeye Name: methyl 5,6-difluoro-2-[3-(1H-indazol-5-ylamino)-1-piperidyl]heptanoate CAS Name: 5,6-difluoro-2-[3-(1H-indazol-5-ylamino)-1-piperidinyl]heptanoic acid methyl ester IUPAC Name: methyl 5,6-difluoro-2-[3-(1H-indazol-5-ylamino)piperidin-1-yl]heptanoate Traditional Name: 5,6-difluoro-2-[3-(1H-indazol-5-ylamino)piperidino]enanthic acid methyl ester Formula: C20H28F2N4O2 MolecularWeight: 394.458726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC(C(=O)OC)N1CCCC(C1)NC2=CC3=C(C=C2)NN=C3)F)F

Isomeric SMILES

CC(C(CCC(C(=O)OC)N1CCCC(C1)NC2=CC3=C(C=C2)NN=C3)F)F

InChI

InChI=1S/C20H28F2N4O2/c1-13(21)17(22)6-8-19(20(27)28-2)26-9-3-4-16(12-26)24-15-5-7-18-14(10-15)11-23-25-18/h5,7,10-11,13,16-17,19,24H,3-4,6,8-9,12H2,1-2H3,(H,23,25)