1-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one

Systemtic Name: 1-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one Openeye Name: 1-[4-(4-bromobenzoyl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one CAS Name: 1-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]-6,6-bis(4-fluorophenyl)-1-hexanone IUPAC Name: 1-[4-(4-bromobenzoyl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one Traditional Name: 1-[4-(4-bromobenzoyl)piperazino]-6,6-bis(4-fluorophenyl)hexan-1-one Formula: C29H29BrF2N2O2 MolecularWeight: 555.453566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H29BrF2N2O2/c30-24-11-5-23(6-12-24)29(36)34-19-17-33(18-20-34)28(35)4-2-1-3-27(21-7-13-25(31)14-8-21)22-9-15-26(32)16-10-22/h5-16,27H,1-4,17-20H2