4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(2-propan-2-yloxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-fluoranyl-benzamide

Systemtic Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(2-propan-2-yloxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(2-isopropoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-fluoro-benzamide CAS Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(2-propan-2-yloxy-5-pyrimidinyl)methyl]-3-pyrrolidinyl]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(2-propan-2-yloxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-fluorobenzamide Traditional Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(2-isopropoxypyrimidin-5-yl)methyl]pyrrolidin-3-yl]-2-fluoro-benzamide Formula: C27H25FN6O2 MolecularWeight: 484.524803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=C(C=N1)C(C2=CC=C(C=C2)C#N)N3CCC(C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CC(C)OC1=NC=C(C=N1)C(C2=CC=C(C=C2)C#N)N3CC[C@H](C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C27H25FN6O2/c1-17(2)36-27-31-14-21(15-32-27)25(20-6-3-18(12-29)4-7-20)34-10-9-22(16-34)33-26(35)23-8-5-19(13-30)11-24(23)28/h3-8,11,14-15,17,22,25H,9-10,16H2,1-2H3,(H,33,35)/t22-,25?/m1/s1