N-[5-[2-[1-(2-methoxyphenyl)-4-oxidanyl-cyclohexyl]ethynyl]pyrimidin-2-yl]ethanamide

Systemtic Name: N-[5-[2-[1-(2-methoxyphenyl)-4-oxidanyl-cyclohexyl]ethynyl]pyrimidin-2-yl]ethanamide Openeye Name: N-[5-[2-[4-hydroxy-1-(2-methoxyphenyl)cyclohexyl]ethynyl]pyrimidin-2-yl]acetamide CAS Name: N-[5-[2-[4-hydroxy-1-(2-methoxyphenyl)cyclohexyl]ethynyl]-2-pyrimidinyl]acetamide IUPAC Name: N-[5-[2-[4-hydroxy-1-(2-methoxyphenyl)cyclohexyl]ethynyl]pyrimidin-2-yl]acetamide Traditional Name: N-[5-[2-[4-hydroxy-1-(2-methoxyphenyl)cyclohexyl]ethynyl]pyrimidin-2-yl]acetamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=N1)C#CC2(CCC(CC2)O)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NC1=NC=C(C=N1)C#CC2(CCC(CC2)O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O3/c1-15(25)24-20-22-13-16(14-23-20)7-10-21(11-8-17(26)9-12-21)18-5-3-4-6-19(18)27-2/h3-6,13-14,17,26H,8-9,11-12H2,1-2H3,(H,22,23,24,25)