1-[2-tert-butyl-4-[(4-ethoxy-3-fluoranyl-phenyl)-phenyl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone

Systemtic Name: 1-[2-tert-butyl-4-[(4-ethoxy-3-fluoranyl-phenyl)-phenyl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(4-ethoxy-3-fluoro-phenyl)-phenyl-methyl]piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[2-tert-butyl-4-[(4-ethoxy-3-fluorophenyl)-phenylmethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(4-ethoxy-3-fluorophenyl)-phenylmethyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(4-ethoxy-3-fluoro-phenyl)-phenyl-methyl]piperazino]ethanone Formula: C32H44FN3O3 MolecularWeight: 537.708463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3CCN(C(C3)C(C)(C)C)C(=O)CC4CCN(CC4)C(=O)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3CCN(C(C3)C(C)(C)C)C(=O)CC4CCN(CC4)C(=O)C)F

InChI

InChI=1S/C32H44FN3O3/c1-6-39-28-13-12-26(21-27(28)33)31(25-10-8-7-9-11-25)35-18-19-36(29(22-35)32(3,4)5)30(38)20-24-14-16-34(17-15-24)23(2)37/h7-13,21,24,29,31H,6,14-20,22H2,1-5H3