4-[5-ethynyl-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-pyrimidin-4-yl]oxy-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[5-ethynyl-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-pyrimidin-4-yl]oxy-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5-ethynyl-6-[[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-4-piperidyl]oxy]pyrimidin-4-yl]oxy-3-fluoro-benzonitrile CAS Name: 4-[[5-ethynyl-6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4-piperidinyl]oxy]-4-pyrimidinyl]oxy]-3-fluorobenzonitrile IUPAC Name: 4-[5-ethynyl-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-yl]oxy-3-fluorobenzonitrile Traditional Name: 4-[5-ethynyl-6-[[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)-4-piperidyl]oxy]pyrimidin-4-yl]oxy-3-fluoro-benzonitrile Formula: C23H21FN6O3 MolecularWeight: 448.449643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)N2CCC(CC2)OC3=NC=NC(=C3C#C)OC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CC(C)C1=NOC(=N1)N2CCC(CC2)OC3=NC=NC(=C3C#C)OC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C23H21FN6O3/c1-4-17-21(26-13-27-22(17)32-19-6-5-15(12-25)11-18(19)24)31-16-7-9-30(10-8-16)23-28-20(14(2)3)29-33-23/h1,5-6,11,13-14,16H,7-10H2,2-3H3