propan-2-yl 4-[6-[(4-cyano-2-fluoranyl-phenyl)amino]-5-ethynyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[6-[(4-cyano-2-fluoranyl-phenyl)amino]-5-ethynyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(4-cyano-2-fluoro-anilino)-5-ethynyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-cyano-2-fluoroanilino)-5-ethynyl-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(4-cyano-2-fluoroanilino)-5-ethynylpyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-cyano-2-fluoro-anilino)-5-ethynyl-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#C)NC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#C)NC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C22H22FN5O3/c1-4-17-20(27-19-6-5-15(12-24)11-18(19)23)25-13-26-21(17)31-16-7-9-28(10-8-16)22(29)30-14(2)3/h1,5-6,11,13-14,16H,7-10H2,2-3H3,(H,25,26,27)