[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O6/c1-4-5-13-26-25(32)27-22(30)16-35-24(31)23-19(15-29(28-23)18-9-7-6-8-10-18)17-11-12-20(33-2)21(14-17)34-3/h6-12,14-15H,4-5,13,16H2,1-3H3,(H2,26,27,30,32)