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

Systemtic Name: [4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-yl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[1-[4-(4-bromophenyl)thiazol-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-2-methyl-piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[[1-[4-(4-bromophenyl)-2-thiazolyl]-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-2-methyl-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[1-[4-(4-bromophenyl)thiazol-2-yl]-5-isopropyl-pyrazole-4-carbonyl]-2-methyl-piperazino]-cyclopropyl-methanone Formula: C25H28BrN5O2S MolecularWeight: 542.49112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)C3=C(N(N=C3)C4=NC(=CS4)C5=CC=C(C=C5)Br)C(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C(=O)C3=C(N(N=C3)C4=NC(=CS4)C5=CC=C(C=C5)Br)C(C)C

InChI

InChI=1S/C25H28BrN5O2S/c1-15(2)22-20(24(33)29-10-11-30(16(3)13-29)23(32)18-4-5-18)12-27-31(22)25-28-21(14-34-25)17-6-8-19(26)9-7-17/h6-9,12,14-16,18H,4-5,10-11,13H2,1-3H3