methyl 2-(4-bromophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-propan-2-yl-pentanoate

Systemtic Name: methyl 2-(4-bromophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-propan-2-yl-pentanoate Openeye Name: methyl 2-(4-bromophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-isopropyl-pentanoate CAS Name: 2-(4-bromophenyl)-5-[4-(4-fluorophenyl)-1-piperazinyl]-2-propan-2-ylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-bromophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-propan-2-ylpentanoate Traditional Name: 2-(4-bromophenyl)-5-[4-(4-fluorophenyl)piperazino]-2-isopropyl-valeric acid methyl ester Formula: C25H32BrFN2O2 MolecularWeight: 491.436183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C25H32BrFN2O2/c1-19(2)25(24(30)31-3,20-5-7-21(26)8-6-20)13-4-14-28-15-17-29(18-16-28)23-11-9-22(27)10-12-23/h5-12,19H,4,13-18H2,1-3H3