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

Systemtic Name: but-2-ynyl N-[[3-(4-piperidin-3-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate Openeye Name: but-2-ynyl N-[[3-[4-(3-piperidyl)-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[4-(3-piperidinyl)-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazol-5-yl]methyl]carbamic acid but-2-ynyl ester IUPAC Name: but-2-ynyl N-[[3-(4-piperidin-3-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[4-(3-piperidyl)-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamic acid but-2-ynyl ester Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CN=CC=C3)C4CCCNC4

Isomeric SMILES

CC#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CN=CC=C3)C4CCCNC4

InChI

InChI=1S/C22H24N6O2S/c1-2-3-10-30-22(29)25-14-17-11-18(28-27-17)20-19(15-6-4-8-23-12-15)26-21(31-20)16-7-5-9-24-13-16/h5,7,9,11,13,15,23H,4,6,8,10,12,14H2,1H3,(H,25,29)(H,27,28)