ethyl 1-(2-oxidanylpentyl)-5-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanylpentyl)-5-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxypentyl)-5-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylic acid ethyl ester Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)N2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)N2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H34N4O4/c1-3-8-20(29)17-28-22(21(16-25-28)23(30)32-4-2)26-24(31)27-13-11-19(12-14-27)15-18-9-6-5-7-10-18/h5-7,9-10,16,19-20,29H,3-4,8,11-15,17H2,1-2H3,(H,26,31)