1-[4-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]piperazino]-2-methyl-propan-1-one Formula: C21H33ClN2O3 MolecularWeight: 396.95132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2CCN(CC2)C(=O)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(CN2CCN(CC2)C(=O)C(C)C)O

InChI

InChI=1S/C21H33ClN2O3/c1-14(2)18-11-19(22)16(5)10-20(18)27-13-17(25)12-23-6-8-24(9-7-23)21(26)15(3)4/h10-11,14-15,17,25H,6-9,12-13H2,1-5H3