ethyl 2-(5-phenyl-3-piperidin-1-ylcarbonyl-pyrazol-1-yl)-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-(5-phenyl-3-piperidin-1-ylcarbonyl-pyrazol-1-yl)-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[5-phenyl-3-(piperidine-1-carbonyl)pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[3-[oxo(1-piperidinyl)methyl]-5-phenyl-1-pyrazolyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-phenyl-3-(piperidine-1-carbonyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-phenyl-3-(piperidine-1-carbonyl)pyrazol-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S/c1-2-28-20(27)17-14-29-21(22-17)25-18(15-9-5-3-6-10-15)13-16(23-25)19(26)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3