but-2-ynyl N-[1-[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3H-pyrazol-5-yl]butyl]carbamate

Systemtic Name: but-2-ynyl N-[1-[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3H-pyrazol-5-yl]butyl]carbamate Openeye Name: but-2-ynyl N-[1-[3-[4-(1-piperidyl)-2-(3-pyridyl)thiazol-5-yl]-3H-pyrazol-5-yl]butyl]carbamate CAS Name: N-[1-[3-[4-(1-piperidinyl)-2-(3-pyridinyl)-5-thiazolyl]-3H-pyrazol-5-yl]butyl]carbamic acid but-2-ynyl ester IUPAC Name: but-2-ynyl N-[1-[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3H-pyrazol-5-yl]butyl]carbamate Traditional Name: N-[1-[3-[4-piperidino-2-(3-pyridyl)thiazol-5-yl]-3H-pyrazol-5-yl]butyl]carbamic acid but-2-ynyl ester Formula: C25H30N6O2S MolecularWeight: 478.6097

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(N=N1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCCCC4)NC(=O)OCC#CC

Isomeric SMILES

CCCC(C1=CC(N=N1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCCCC4)NC(=O)OCC#CC

InChI

InChI=1S/C25H30N6O2S/c1-3-5-15-33-25(32)27-19(10-4-2)20-16-21(30-29-20)22-23(31-13-7-6-8-14-31)28-24(34-22)18-11-9-12-26-17-18/h9,11-12,16-17,19,21H,4,6-8,10,13-15H2,1-2H3,(H,27,32)