[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4/c1-16-23(18(3)30)17(2)27-24(16)22(31)15-33-26(32)21-14-29(20-12-8-5-9-13-20)28-25(21)19-10-6-4-7-11-19/h4-14,27H,15H2,1-3H3