1-butyl-4-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-piperazin-2-one

Systemtic Name: 1-butyl-4-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-piperazin-2-one Openeye Name: 1-butyl-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]piperazin-2-one CAS Name: 1-butyl-4-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-2-piperazinone IUPAC Name: 1-butyl-4-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]piperazin-2-one Traditional Name: 1-butyl-4-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]piperazin-2-one Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1=O)C(=O)C2=CC=C(C=C2)C#CC(C)(C)O

Isomeric SMILES

CCCCN1CCN(CC1=O)C(=O)C2=CC=C(C=C2)C#CC(C)(C)O

InChI

InChI=1S/C20H26N2O3/c1-4-5-12-21-13-14-22(15-18(21)23)19(24)17-8-6-16(7-9-17)10-11-20(2,3)25/h6-9,25H,4-5,12-15H2,1-3H3