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

Systemtic Name: ethyl 4-[[2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propyl-pyrazol-4-yl]carbonyl-piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-methyl-4-[1-(4-phenylthiazol-2-yl)-5-propyl-pyrazole-4-carbonyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[2-methyl-4-[oxo-[1-(4-phenyl-2-thiazolyl)-5-propyl-4-pyrazolyl]methyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-methyl-4-[1-(4-phenyl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[2-methyl-4-[1-(4-phenylthiazol-2-yl)-5-propyl-pyrazole-4-carbonyl]piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C31H34N6O4S MolecularWeight: 586.70446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)N4CCN(C(C4)C)C(=O)NC5=CC=C(C=C5)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NN1C2=NC(=CS2)C3=CC=CC=C3)C(=O)N4CCN(C(C4)C)C(=O)NC5=CC=C(C=C5)C(=O)OCC

InChI

InChI=1S/C31H34N6O4S/c1-4-9-27-25(18-32-37(27)31-34-26(20-42-31)22-10-7-6-8-11-22)28(38)35-16-17-36(21(3)19-35)30(40)33-24-14-12-23(13-15-24)29(39)41-5-2/h6-8,10-15,18,20-21H,4-5,9,16-17,19H2,1-3H3,(H,33,40)