[4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone

Systemtic Name: [4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone Openeye Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: [4-[2-furanyl(oxo)methyl]-1-piperazinyl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone IUPAC Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone Traditional Name: [4-(2-furoyl)piperazino]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)O

InChI

InChI=1S/C21H22N2O4/c1-21(2,26)10-9-16-5-7-17(8-6-16)19(24)22-11-13-23(14-12-22)20(25)18-4-3-15-27-18/h3-8,15,26H,11-14H2,1-2H3