4-phenylbutan-2-yl 4-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-yl-piperazine-2-carboxylate

Systemtic Name: 4-phenylbutan-2-yl 4-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-yl-piperazine-2-carboxylate Openeye Name: (1-methyl-3-phenyl-propyl) 4-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridyl)piperazine-2-carboxylate CAS Name: 4-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridinyl)-2-piperazinecarboxylic acid 4-phenylbutan-2-yl ester IUPAC Name: 4-phenylbutan-2-yl 4-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-ylpiperazine-2-carboxylate Traditional Name: 4-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridyl)piperazine-2-carboxylic acid (1-methyl-3-phenyl-propyl) ester Formula: C36H39F2N3O2 MolecularWeight: 583.710566

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)OC(=O)C2CN(CCN2C3=CC=CC=N3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CC(CCC1=CC=CC=C1)OC(=O)C2CN(CCN2C3=CC=CC=N3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C36H39F2N3O2/c1-27(12-13-28-8-3-2-4-9-28)43-36(42)34-26-40(24-25-41(34)35-11-5-6-22-39-35)23-7-10-33(29-14-18-31(37)19-15-29)30-16-20-32(38)21-17-30/h2-6,8-9,11,14-22,27,33-34H,7,10,12-13,23-26H2,1H3