1-[2-tert-butyl-4-[(4-fluorophenyl)-phenyl-methyl]piperazin-1-yl]-2-piperidin-4-yl-ethanone

Systemtic Name: 1-[2-tert-butyl-4-[(4-fluorophenyl)-phenyl-methyl]piperazin-1-yl]-2-piperidin-4-yl-ethanone Openeye Name: 1-[2-tert-butyl-4-[(4-fluorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(4-piperidyl)ethanone CAS Name: 1-[2-tert-butyl-4-[(4-fluorophenyl)-phenylmethyl]-1-piperazinyl]-2-(4-piperidinyl)ethanone IUPAC Name: 1-[2-tert-butyl-4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-piperidin-4-ylethanone Traditional Name: 1-[2-tert-butyl-4-[(4-fluorophenyl)-phenyl-methyl]piperazino]-2-(4-piperidyl)ethanone Formula: C28H38FN3O MolecularWeight: 451.619223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCNCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCNCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H38FN3O/c1-28(2,3)25-20-31(17-18-32(25)26(33)19-21-13-15-30-16-14-21)27(22-7-5-4-6-8-22)23-9-11-24(29)12-10-23/h4-12,21,25,27,30H,13-20H2,1-3H3