[4-[3-(5-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[3-(5-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(5-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[3-(5-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[3-(5-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(5-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazino]-phenyl-methanone Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)OCC(CN2CCN(CC2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C25H34N2O3/c1-19-10-11-21(25(2,3)4)16-23(19)30-18-22(28)17-26-12-14-27(15-13-26)24(29)20-8-6-5-7-9-20/h5-11,16,22,28H,12-15,17-18H2,1-4H3