ethyl 5-(4-chlorophenyl)-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-methyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-methyl-pyrrole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methylpyrrole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)Cl)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C

InChI

InChI=1S/C25H24ClN3O3/c1-5-32-25(31)21-15-22(18-11-13-19(26)14-12-18)28(16(21)2)23-17(3)27(4)29(24(23)30)20-9-7-6-8-10-20/h6-15H,5H2,1-4H3