N-[3-cyano-4-[3-[(1-ethynylcyclohexyl)amino]-2-oxidanyl-propoxy]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-cyano-4-[3-[(1-ethynylcyclohexyl)amino]-2-oxidanyl-propoxy]phenyl]-2-methyl-propanamide Openeye Name: N-[3-cyano-4-[3-[(1-ethynylcyclohexyl)amino]-2-hydroxy-propoxy]phenyl]-2-methyl-propanamide CAS Name: N-[3-cyano-4-[3-[(1-ethynylcyclohexyl)amino]-2-hydroxypropoxy]phenyl]-2-methylpropanamide IUPAC Name: N-[3-cyano-4-[3-[(1-ethynylcyclohexyl)amino]-2-hydroxypropoxy]phenyl]-2-methylpropanamide Traditional Name: N-[3-cyano-4-[3-[(1-ethynylcyclohexyl)amino]-2-hydroxy-propoxy]phenyl]-2-methyl-propionamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1)OCC(CNC2(CCCCC2)C#C)O)C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)OCC(CNC2(CCCCC2)C#C)O)C#N

InChI

InChI=1S/C22H29N3O3/c1-4-22(10-6-5-7-11-22)24-14-19(26)15-28-20-9-8-18(12-17(20)13-23)25-21(27)16(2)3/h1,8-9,12,16,19,24,26H,5-7,10-11,14-15H2,2-3H3,(H,25,27)