tert-butyl 2-[4-[4-(2-bromanyl-4-cyano-phenyl)piperazin-1-yl]-1-oxidanyl-cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(2-bromanyl-4-cyano-phenyl)piperazin-1-yl]-1-oxidanyl-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(2-bromo-4-cyano-phenyl)piperazin-1-yl]-1-hydroxy-cyclohexyl]acetate CAS Name: 2-[4-[4-(2-bromo-4-cyanophenyl)-1-piperazinyl]-1-hydroxycyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(2-bromo-4-cyanophenyl)piperazin-1-yl]-1-hydroxycyclohexyl]acetate Traditional Name: 2-[4-[4-(2-bromo-4-cyano-phenyl)piperazino]-1-hydroxy-cyclohexyl]acetic acid tert-butyl ester Formula: C23H32BrN3O3 MolecularWeight: 478.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C#N)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=C(C=C(C=C3)C#N)Br)O

InChI

InChI=1S/C23H32BrN3O3/c1-22(2,3)30-21(28)15-23(29)8-6-18(7-9-23)26-10-12-27(13-11-26)20-5-4-17(16-25)14-19(20)24/h4-5,14,18,29H,6-13,15H2,1-3H3