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

Systemtic Name: 1-[2-tert-butyl-4-[(3-fluoranyl-4-propan-2-yloxy-phenyl)-phenyl-methyl]piperazin-1-yl]-2-(1-ethanoylpiperidin-4-yl)ethanone Openeye Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(3-fluoro-4-isopropoxy-phenyl)-phenyl-methyl]piperazin-1-yl]ethanone CAS Name: 2-(1-acetyl-4-piperidinyl)-1-[2-tert-butyl-4-[(3-fluoro-4-propan-2-yloxyphenyl)-phenylmethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(3-fluoro-4-propan-2-yloxyphenyl)-phenylmethyl]piperazin-1-yl]ethanone Traditional Name: 2-(1-acetyl-4-piperidyl)-1-[2-tert-butyl-4-[(3-fluoro-4-isopropoxy-phenyl)-phenyl-methyl]piperazino]ethanone Formula: C33H46FN3O3 MolecularWeight: 551.735043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=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

CC(C)OC1=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/C33H46FN3O3/c1-23(2)40-29-13-12-27(21-28(29)34)32(26-10-8-7-9-11-26)36-18-19-37(30(22-36)33(4,5)6)31(39)20-25-14-16-35(17-15-25)24(3)38/h7-13,21,23,25,30,32H,14-20,22H2,1-6H3