2-(5-tert-butyl-1-benzofuran-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-tert-butyl-1-benzofuran-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(5-tert-butylbenzofuran-3-yl)ethanone CAS Name: 2-(5-tert-butyl-3-benzofuranyl)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(5-tert-butyl-1-benzofuran-3-yl)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(5-tert-butylbenzofuran-3-yl)ethanone Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC=C2CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC=C2CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2/c1-25(2,3)21-9-10-23-22(16-21)20(18-29-23)15-24(28)27-13-11-26(12-14-27)17-19-7-5-4-6-8-19/h4-10,16,18H,11-15,17H2,1-3H3