1-[4-chloranyl-3-(1-fluoranylbutyl)-5-(2-methylphenyl)phenyl]-4-methyl-piperazine

Systemtic Name: 1-[4-chloranyl-3-(1-fluoranylbutyl)-5-(2-methylphenyl)phenyl]-4-methyl-piperazine Openeye Name: 1-[4-chloro-3-(1-fluorobutyl)-5-(o-tolyl)phenyl]-4-methyl-piperazine CAS Name: 1-[4-chloro-3-(1-fluorobutyl)-5-(2-methylphenyl)phenyl]-4-methylpiperazine IUPAC Name: 1-[4-chloro-3-(1-fluorobutyl)-5-(2-methylphenyl)phenyl]-4-methylpiperazine Traditional Name: 1-[4-chloro-3-(1-fluorobutyl)-5-(o-tolyl)phenyl]-4-methyl-piperazine Formula: C22H28ClFN2 MolecularWeight: 374.922523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CC(=C1)N2CCN(CC2)C)C3=CC=CC=C3C)Cl)F

Isomeric SMILES

CCCC(C1=C(C(=CC(=C1)N2CCN(CC2)C)C3=CC=CC=C3C)Cl)F

InChI

InChI=1S/C22H28ClFN2/c1-4-7-21(24)20-15-17(26-12-10-25(3)11-13-26)14-19(22(20)23)18-9-6-5-8-16(18)2/h5-6,8-9,14-15,21H,4,7,10-13H2,1-3H3