N-(3-chloranyl-4-ethynyl-phenyl)-2-(2-methyl-2-phenyl-propyl)-2-oxidanyl-pent-3-ynamide

Systemtic Name: N-(3-chloranyl-4-ethynyl-phenyl)-2-(2-methyl-2-phenyl-propyl)-2-oxidanyl-pent-3-ynamide Openeye Name: N-(3-chloro-4-ethynyl-phenyl)-2-hydroxy-2-(2-methyl-2-phenyl-propyl)pent-3-ynamide CAS Name: N-(3-chloro-4-ethynylphenyl)-2-hydroxy-2-(2-methyl-2-phenylpropyl)-3-pentynamide IUPAC Name: N-(3-chloro-4-ethynylphenyl)-2-hydroxy-2-(2-methyl-2-phenylpropyl)pent-3-ynamide Traditional Name: N-(3-chloro-4-ethynyl-phenyl)-2-hydroxy-2-neophyl-pent-3-ynamide Formula: C23H22ClNO2 MolecularWeight: 379.87928

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CC(C)(C)C1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)C#C)Cl)O

Isomeric SMILES

CC#CC(CC(C)(C)C1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)C#C)Cl)O

InChI

InChI=1S/C23H22ClNO2/c1-5-14-23(27,16-22(3,4)18-10-8-7-9-11-18)21(26)25-19-13-12-17(6-2)20(24)15-19/h2,7-13,15,27H,16H2,1,3-4H3,(H,25,26)