[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxylic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5/c1-16(2)14-26-24(29)17(3)33-25(30)23-20(15-28(27-23)19-9-7-6-8-10-19)18-11-12-21(31-4)22(13-18)32-5/h6-13,15-17H,14H2,1-5H3,(H,26,29)