[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)O

InChI

InChI=1S/C20H22N4O2/c1-20(2,26)9-8-16-4-6-17(7-5-16)18(25)23-12-14-24(15-13-23)19-21-10-3-11-22-19/h3-7,10-11,26H,12-15H2,1-2H3