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

Systemtic Name: but-2-ynyl N-[[3-(2-phenyl-4-piperidin-4-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate Openeye Name: but-2-ynyl N-[[3-[2-phenyl-4-(4-piperidyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[2-phenyl-4-(4-piperidinyl)-5-thiazolyl]-1H-pyrazol-5-yl]methyl]carbamic acid but-2-ynyl ester IUPAC Name: but-2-ynyl N-[[3-(2-phenyl-4-piperidin-4-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[2-phenyl-4-(4-piperidyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamic acid but-2-ynyl ester Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CC#CCOC(=O)NCC1=CC(=NN1)C2=C(N=C(S2)C3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C23H25N5O2S/c1-2-3-13-30-23(29)25-15-18-14-19(28-27-18)21-20(16-9-11-24-12-10-16)26-22(31-21)17-7-5-4-6-8-17/h4-8,14,16,24H,9-13,15H2,1H3,(H,25,29)(H,27,28)