ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[2-phenyl-4-(1-piperidyl)thiazol-5-yl]-1H-pyrazole-3-carboxylate CAS Name: 5-[2-phenyl-4-(1-piperidinyl)-5-thiazolyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxylate Traditional Name: 5-(2-phenyl-4-piperidino-thiazol-5-yl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C20H22N4O2S/c1-2-26-20(25)16-13-15(22-23-16)17-18(24-11-7-4-8-12-24)21-19(27-17)14-9-5-3-6-10-14/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H,22,23)