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

Systemtic Name: ethyl 1-(2-oxidanylbutyl)-5-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxybutyl)-5-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperidine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O4/c1-3-19(28)16-27-21(20(15-24-27)22(29)31-4-2)25-23(30)26-12-10-18(11-13-26)14-17-8-6-5-7-9-17/h5-9,15,18-19,28H,3-4,10-14,16H2,1-2H3,(H,25,30)