1-(4-fluorophenyl)-2-[4-[(4-oxidanyl-3,5-dipentoxy-phenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-[4-[(4-oxidanyl-3,5-dipentoxy-phenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 1-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dipentoxy-phenyl)methyl]piperazin-1-yl]ethanone CAS Name: 1-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dipentoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dipentoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[4-(3,5-diamoxy-4-hydroxy-benzyl)piperazino]-1-(4-fluorophenyl)ethanone Formula: C29H41FN2O4 MolecularWeight: 500.645243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1O)OCCCCC)CN2CCN(CC2)CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1O)OCCCCC)CN2CCN(CC2)CC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C29H41FN2O4/c1-3-5-7-17-35-27-19-23(20-28(29(27)34)36-18-8-6-4-2)21-31-13-15-32(16-14-31)22-26(33)24-9-11-25(30)12-10-24/h9-12,19-20,34H,3-8,13-18,21-22H2,1-2H3