ethyl 1-(2-oxidanylbutyl)-5-[(phenylmethyl)carbamoylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanylbutyl)-5-[(phenylmethyl)carbamoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxybutyl)-5-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate Traditional Name: 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NCC2=CC=CC=C2)O

Isomeric SMILES

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NCC2=CC=CC=C2)O

InChI

InChI=1S/C18H24N4O4/c1-3-14(23)12-22-16(15(11-20-22)17(24)26-4-2)21-18(25)19-10-13-8-6-5-7-9-13/h5-9,11,14,23H,3-4,10,12H2,1-2H3,(H2,19,21,25)