1-[4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]heptan-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]heptan-1-one Openeye Name: 1-[4-[1-[4-(4-bromophenyl)thiazol-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-2-methyl-piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[[1-[4-(4-bromophenyl)-2-thiazolyl]-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-2-methyl-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]heptan-1-one Traditional Name: 1-[4-[1-[4-(4-bromophenyl)thiazol-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-2-methyl-piperazino]heptan-1-one Formula: C28H36BrN5O2S MolecularWeight: 586.58674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(=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/C28H36BrN5O2S/c1-5-6-7-8-9-25(35)33-15-14-32(17-20(33)4)27(36)23-16-30-34(26(23)19(2)3)28-31-24(18-37-28)21-10-12-22(29)13-11-21/h10-13,16,18-20H,5-9,14-15,17H2,1-4H3