1-[4-[1-[4-(4-bromophenyl)-5-phenyl-1,3-thiazol-2-yl]-5-propyl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]-2-ethyl-hexan-1-one

Systemtic Name: 1-[4-[1-[4-(4-bromophenyl)-5-phenyl-1,3-thiazol-2-yl]-5-propyl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[4-[1-[4-(4-bromophenyl)-5-phenyl-thiazol-2-yl]-5-propyl-pyrazole-4-carbonyl]-2-methyl-piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[4-[[1-[4-(4-bromophenyl)-5-phenyl-2-thiazolyl]-5-propyl-4-pyrazolyl]-oxomethyl]-2-methyl-1-piperazinyl]-2-ethyl-1-hexanone IUPAC Name: 1-[4-[1-[4-(4-bromophenyl)-5-phenyl-1,3-thiazol-2-yl]-5-propylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-[1-[4-(4-bromophenyl)-5-phenyl-thiazol-2-yl]-5-propyl-pyrazole-4-carbonyl]-2-methyl-piperazino]-2-ethyl-hexan-1-one Formula: C35H42BrN5O2S MolecularWeight: 676.70928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)C2=C(N(N=C2)C3=NC(=C(S3)C4=CC=CC=C4)C5=CC=C(C=C5)Br)CCC

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)C2=C(N(N=C2)C3=NC(=C(S3)C4=CC=CC=C4)C5=CC=C(C=C5)Br)CCC

InChI

InChI=1S/C35H42BrN5O2S/c1-5-8-13-25(7-3)33(42)40-21-20-39(23-24(40)4)34(43)29-22-37-41(30(29)12-6-2)35-38-31(26-16-18-28(36)19-17-26)32(44-35)27-14-10-9-11-15-27/h9-11,14-19,22,24-25H,5-8,12-13,20-21,23H2,1-4H3