[2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[(2R)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(o-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[[(1R)-1-methylpropyl]amino]ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2C)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2C)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3/c1-4-17(3)24-21(27)15-29-23(28)20-14-26(18-11-6-5-7-12-18)25-22(20)19-13-9-8-10-16(19)2/h5-14,17H,4,15H2,1-3H3,(H,24,27)/t17-/m1/s1