4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-[4-(2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-(2,4-ditert-amylphenoxy)-1-[4-(2-pyridyl)piperazino]butan-1-one Formula: C29H43N3O2 MolecularWeight: 465.67062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)(C)CC

InChI

InChI=1S/C29H43N3O2/c1-7-28(3,4)23-14-15-25(24(22-23)29(5,6)8-2)34-21-11-13-27(33)32-19-17-31(18-20-32)26-12-9-10-16-30-26/h9-10,12,14-16,22H,7-8,11,13,17-21H2,1-6H3