[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-3-14-23-21(26)16(2)28-22(27)19-15-25(18-12-8-5-9-13-18)24-20(19)17-10-6-4-7-11-17/h3-13,15-16H,1,14H2,2H3,(H,23,26)