2-(2,4-ditert-butylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2,4-ditert-butylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2,4-ditert-butylphenoxy)ethanone CAS Name: 2-(2,4-ditert-butylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2,4-ditert-butylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(2,4-ditert-butylphenoxy)ethanone Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C27H38N2O2/c1-26(2,3)22-12-13-24(23(18-22)27(4,5)6)31-20-25(30)29-16-14-28(15-17-29)19-21-10-8-7-9-11-21/h7-13,18H,14-17,19-20H2,1-6H3