ethyl 2-[5-phenyl-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[5-phenyl-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[3-(4-benzylpiperidine-1-carbonyl)-5-phenyl-pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-5-phenyl-1-pyrazolyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-benzylpiperidine-1-carbonyl)-5-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[3-(4-benzylpiperidine-1-carbonyl)-5-phenyl-pyrazol-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-2-35-27(34)24-19-36-28(29-24)32-25(22-11-7-4-8-12-22)18-23(30-32)26(33)31-15-13-21(14-16-31)17-20-9-5-3-6-10-20/h3-12,18-19,21H,2,13-17H2,1H3