N-(3-chloranyl-4-ethynyl-phenyl)-2-(2-methyl-2-phenyl-propyl)-2-oxidanyl-5-phenyl-pent-3-ynamide

Systemtic Name: N-(3-chloranyl-4-ethynyl-phenyl)-2-(2-methyl-2-phenyl-propyl)-2-oxidanyl-5-phenyl-pent-3-ynamide Openeye Name: N-(3-chloro-4-ethynyl-phenyl)-2-hydroxy-2-(2-methyl-2-phenyl-propyl)-5-phenyl-pent-3-ynamide CAS Name: N-(3-chloro-4-ethynylphenyl)-2-hydroxy-2-(2-methyl-2-phenylpropyl)-5-phenyl-3-pentynamide IUPAC Name: N-(3-chloro-4-ethynylphenyl)-2-hydroxy-2-(2-methyl-2-phenylpropyl)-5-phenylpent-3-ynamide Traditional Name: N-(3-chloro-4-ethynyl-phenyl)-2-hydroxy-2-neophyl-5-phenyl-pent-3-ynamide Formula: C29H26ClNO2 MolecularWeight: 455.97524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C#CCC1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)C#C)Cl)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CC(C#CCC1=CC=CC=C1)(C(=O)NC2=CC(=C(C=C2)C#C)Cl)O)C3=CC=CC=C3

InChI

InChI=1S/C29H26ClNO2/c1-4-23-17-18-25(20-26(23)30)31-27(32)29(33,19-11-14-22-12-7-5-8-13-22)21-28(2,3)24-15-9-6-10-16-24/h1,5-10,12-13,15-18,20,33H,14,21H2,2-3H3,(H,31,32)