2,2-dimethyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]-2,2-dimethyl-propan-1-one CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-2,2-dimethyl-1-propanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]-2,2-dimethyl-propan-1-one Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(C(C1)O)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N1CC[C@H]([C@@H](C1)O)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O2/c1-22(2,3)21(27)25-12-10-19(20(26)17-25)24-15-13-23(14-16-24)11-9-18-7-5-4-6-8-18/h4-8,19-20,26H,9-17H2,1-3H3/t19-,20-/m1/s1