(phenylmethyl) 4-[3-bromanyl-4-chloranyl-5-(1-fluoranylpropyl)phenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-bromanyl-4-chloranyl-5-(1-fluoranylpropyl)phenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylic acid benzyl ester Formula: C21H23BrClFN2O2 MolecularWeight: 469.774923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CCC(C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C21H23BrClFN2O2/c1-2-19(24)17-12-16(13-18(22)20(17)23)25-8-10-26(11-9-25)21(27)28-14-15-6-4-3-5-7-15/h3-7,12-13,19H,2,8-11,14H2,1H3