[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)OC(C)C(=O)NCC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)O[C@H](C)C(=O)NCC=C)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3/c1-4-13-24-22(27)17(3)29-23(28)20-15-26(19-11-6-5-7-12-19)25-21(20)18-10-8-9-16(2)14-18/h4-12,14-15,17H,1,13H2,2-3H3,(H,24,27)/t17-/m1/s1