4-[6,6-bis(4-fluorophenyl)hexanoyl]-1-[(3,5-ditert-butyl-4-methoxy-phenyl)methyl]piperazin-2-one

Systemtic Name: 4-[6,6-bis(4-fluorophenyl)hexanoyl]-1-[(3,5-ditert-butyl-4-methoxy-phenyl)methyl]piperazin-2-one Openeye Name: 4-[6,6-bis(4-fluorophenyl)hexanoyl]-1-[(3,5-ditert-butyl-4-methoxy-phenyl)methyl]piperazin-2-one CAS Name: 4-[6,6-bis(4-fluorophenyl)-1-oxohexyl]-1-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]-2-piperazinone IUPAC Name: 4-[6,6-bis(4-fluorophenyl)hexanoyl]-1-[(3,5-ditert-butyl-4-methoxyphenyl)methyl]piperazin-2-one Traditional Name: 4-[6,6-bis(4-fluorophenyl)hexanoyl]-1-(3,5-ditert-butyl-4-methoxy-benzyl)piperazin-2-one Formula: C38H48F2N2O3 MolecularWeight: 618.796126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CN2CCN(CC2=O)C(=O)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CN2CCN(CC2=O)C(=O)CCCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C38H48F2N2O3/c1-37(2,3)32-22-26(23-33(36(32)45-7)38(4,5)6)24-41-20-21-42(25-35(41)44)34(43)11-9-8-10-31(27-12-16-29(39)17-13-27)28-14-18-30(40)19-15-28/h12-19,22-23,31H,8-11,20-21,24-25H2,1-7H3