prop-2-ynyl N-[[3-[4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate

Systemtic Name: prop-2-ynyl N-[[3-[4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate Openeye Name: prop-2-ynyl N-[[3-[4-(4-methylpiperazin-1-yl)-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazol-5-yl]methyl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[[3-[4-(4-methylpiperazin-1-yl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[4-(4-methylpiperazino)-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamic acid propargyl ester Formula: C21H23N7O2S MolecularWeight: 437.51802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(SC(=N2)C3=CN=CC=C3)C4=NNC(=C4)CNC(=O)OCC#C

Isomeric SMILES

CN1CCN(CC1)C2=C(SC(=N2)C3=CN=CC=C3)C4=NNC(=C4)CNC(=O)OCC#C

InChI

InChI=1S/C21H23N7O2S/c1-3-11-30-21(29)23-14-16-12-17(26-25-16)18-19(28-9-7-27(2)8-10-28)24-20(31-18)15-5-4-6-22-13-15/h1,4-6,12-13H,7-11,14H2,2H3,(H,23,29)(H,25,26)