ethyl 1-(phenylmethyl)-3-(prop-2-enylcarbamoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-3-(prop-2-enylcarbamoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 3-(allylcarbamoylamino)-1-benzyl-pyrazole-4-carboxylate CAS Name: 3-[[oxo-(prop-2-enylamino)methyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(prop-2-enylcarbamoylamino)pyrazole-4-carboxylate Traditional Name: 3-(allylcarbamoylamino)-1-benzyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1NC(=O)NCC=C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(N=C1NC(=O)NCC=C)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O3/c1-3-10-18-17(23)19-15-14(16(22)24-4-2)12-21(20-15)11-13-8-6-5-7-9-13/h3,5-9,12H,1,4,10-11H2,2H3,(H2,18,19,20,23)