2-[bis(4-fluorophenyl)methyl]-1-[(5-bromanyl-2-ethoxy-phenyl)methyl]piperidin-4-one

Systemtic Name: 2-[bis(4-fluorophenyl)methyl]-1-[(5-bromanyl-2-ethoxy-phenyl)methyl]piperidin-4-one Openeye Name: 2-[bis(4-fluorophenyl)methyl]-1-[(5-bromo-2-ethoxy-phenyl)methyl]piperidin-4-one CAS Name: 2-[bis(4-fluorophenyl)methyl]-1-[(5-bromo-2-ethoxyphenyl)methyl]-4-piperidinone IUPAC Name: 2-[bis(4-fluorophenyl)methyl]-1-[(5-bromo-2-ethoxyphenyl)methyl]piperidin-4-one Traditional Name: 2-[bis(4-fluorophenyl)methyl]-1-(5-bromo-2-ethoxy-benzyl)-4-piperidone Formula: C27H26BrF2NO2 MolecularWeight: 514.401646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)CN2CCC(=O)CC2C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)CN2CCC(=O)CC2C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H26BrF2NO2/c1-2-33-26-12-7-21(28)15-20(26)17-31-14-13-24(32)16-25(31)27(18-3-8-22(29)9-4-18)19-5-10-23(30)11-6-19/h3-12,15,25,27H,2,13-14,16-17H2,1H3