N-but-2-ynoxy-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-but-2-ynoxy-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide Openeye Name: N-but-2-ynoxy-5-[4-(1-piperidyl)-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazole-3-carboxamide CAS Name: N-but-2-ynoxy-5-[4-(1-piperidinyl)-2-(3-pyridinyl)-5-thiazolyl]-1H-pyrazole-3-carboxamide IUPAC Name: N-but-2-ynoxy-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide Traditional Name: N-but-2-ynoxy-5-[4-piperidino-2-(3-pyridyl)thiazol-5-yl]-1H-pyrazole-3-carboxamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCONC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCCCC4

Isomeric SMILES

CC#CCONC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CN=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H22N6O2S/c1-2-3-12-29-26-20(28)17-13-16(24-25-17)18-19(27-10-5-4-6-11-27)23-21(30-18)15-8-7-9-22-14-15/h7-9,13-14H,4-6,10-12H2,1H3,(H,24,25)(H,26,28)