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

Systemtic Name: 1-[2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yl-pyrazol-4-yl]carbonyl-piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[5-isopropyl-1-(4-phenylthiazol-2-yl)pyrazole-4-carbonyl]-2-methyl-piperazin-1-yl]octan-1-one CAS Name: 1-[2-methyl-4-[oxo-[1-(4-phenyl-2-thiazolyl)-5-propan-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[5-isopropyl-1-(4-phenylthiazol-2-yl)pyrazole-4-carbonyl]-2-methyl-piperazino]octan-1-one Formula: C29H39N5O2S MolecularWeight: 521.71726

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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=CC=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O2S/c1-5-6-7-8-12-15-26(35)33-17-16-32(19-22(33)4)28(36)24-18-30-34(27(24)21(2)3)29-31-25(20-37-29)23-13-10-9-11-14-23/h9-11,13-14,18,20-22H,5-8,12,15-17,19H2,1-4H3