[4-(4-tert-butylphenyl)piperazin-1-yl]-[(1S,2R)-2-oxidanylcyclohexyl]methanone

Systemtic Name: [4-(4-tert-butylphenyl)piperazin-1-yl]-[(1S,2R)-2-oxidanylcyclohexyl]methanone Openeye Name: [4-(4-tert-butylphenyl)piperazin-1-yl]-[(1S,2R)-2-hydroxycyclohexyl]methanone CAS Name: [4-(4-tert-butylphenyl)-1-piperazinyl]-[(1S,2R)-2-hydroxycyclohexyl]methanone IUPAC Name: [4-(4-tert-butylphenyl)piperazin-1-yl]-[(1S,2R)-2-hydroxycyclohexyl]methanone Traditional Name: [4-(4-tert-butylphenyl)piperazino]-[(1S,2R)-2-hydroxycyclohexyl]methanone Formula: C21H32N2O2 MolecularWeight: 344.49098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCCC3O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H]3CCCC[C@H]3O

InChI

InChI=1S/C21H32N2O2/c1-21(2,3)16-8-10-17(11-9-16)22-12-14-23(15-13-22)20(25)18-6-4-5-7-19(18)24/h8-11,18-19,24H,4-7,12-15H2,1-3H3/t18-,19+/m0/s1