1-[4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[1-[4-(4-bromophenyl)thiazol-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[4-[[1-[4-(4-bromophenyl)-2-thiazolyl]-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-2-methyl-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]octan-1-one Traditional Name: 1-[4-[1-[4-(4-bromophenyl)thiazol-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-2-methyl-piperazino]octan-1-one Formula: C29H38BrN5O2S MolecularWeight: 600.61332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(N(N=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br)C(C)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(N(N=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br)C(C)C

InChI

InChI=1S/C29H38BrN5O2S/c1-5-6-7-8-9-10-26(36)34-16-15-33(18-21(34)4)28(37)24-17-31-35(27(24)20(2)3)29-32-25(19-38-29)22-11-13-23(30)14-12-22/h11-14,17,19-21H,5-10,15-16,18H2,1-4H3