prop-2-ynyl N-[[3-(4-piperidin-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-piperidin-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-(1-piperidyl)-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[4-(1-piperidinyl)-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazol-5-yl]methyl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[4-piperidino-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamic acid propargyl ester Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCCCC4

Isomeric SMILES

C#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H22N6O2S/c1-2-11-29-21(28)23-14-16-12-17(26-25-16)18-19(27-9-4-3-5-10-27)24-20(30-18)15-7-6-8-22-13-15/h1,6-8,12-13H,3-5,9-11,14H2,(H,23,28)(H,25,26)