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

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2/c1-22(2,27)11-10-17-6-8-18(9-7-17)21(26)25-14-12-24(13-15-25)20-5-3-4-19(23)16-20/h3-9,16,27H,12-15H2,1-2H3