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

Systemtic Name: ethyl 1-(2-oxidanylpropyl)-5-[(phenylmethyl)carbamoylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypropyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxypropyl)-5-[[oxo-[(phenylmethyl)amino]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypropyl)pyrazole-4-carboxylate Traditional Name: 5-(benzylcarbamoylamino)-1-(2-hydroxypropyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C)O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C)O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O4/c1-3-25-16(23)14-10-19-21(11-12(2)22)15(14)20-17(24)18-9-13-7-5-4-6-8-13/h4-8,10,12,22H,3,9,11H2,1-2H3,(H2,18,20,24)