tert-butyl N-[1-[3-[(2-fluoranyl-4-iodanyl-phenyl)amino]pyridin-4-yl]carbonylpiperidin-4-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-[(2-fluoranyl-4-iodanyl-phenyl)amino]pyridin-4-yl]carbonylpiperidin-4-yl]carbamate Openeye Name: tert-butyl N-[1-[3-(2-fluoro-4-iodo-anilino)pyridine-4-carbonyl]-4-piperidyl]carbamate CAS Name: N-[1-[[3-(2-fluoro-4-iodoanilino)-4-pyridinyl]-oxomethyl]-4-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]piperidin-4-yl]carbamate Traditional Name: N-[1-[3-(2-fluoro-4-iodo-anilino)isonicotinoyl]-4-piperidyl]carbamic acid tert-butyl ester Formula: C22H26FIN4O3 MolecularWeight: 540.369713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C2=C(C=NC=C2)NC3=C(C=C(C=C3)I)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C2=C(C=NC=C2)NC3=C(C=C(C=C3)I)F

InChI

InChI=1S/C22H26FIN4O3/c1-22(2,3)31-21(30)26-15-7-10-28(11-8-15)20(29)16-6-9-25-13-19(16)27-18-5-4-14(24)12-17(18)23/h4-6,9,12-13,15,27H,7-8,10-11H2,1-3H3,(H,26,30)