ethyl 5-(naphthalen-1-ylcarbamoylamino)-1-(2-oxidanylbutyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(naphthalen-1-ylcarbamoylamino)-1-(2-oxidanylbutyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-hydroxybutyl)-5-(1-naphthylcarbamoylamino)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxybutyl)-5-[[(1-naphthalenylamino)-oxomethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxybutyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate Traditional Name: 1-(2-hydroxybutyl)-5-(1-naphthylcarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NC2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)NC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C21H24N4O4/c1-3-15(26)13-25-19(17(12-22-25)20(27)29-4-2)24-21(28)23-18-11-7-9-14-8-5-6-10-16(14)18/h5-12,15,26H,3-4,13H2,1-2H3,(H2,23,24,28)