ethyl 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazole-4-carboxylate Openeye Name: ethyl 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-pyrazole-4-carboxylate CAS Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxopyrazole-4-carboxylate Traditional Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-5-keto-2-methyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H25N3O3/c1-6-30-23(29)20-21(17-9-11-18(12-10-17)24(2,3)4)26(5)27(22(20)28)19-13-7-16(15-25)8-14-19/h7-14H,6H2,1-5H3