3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazole-4-carbonyl chloride

Systemtic Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazole-4-carbonyl chloride Openeye Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-pyrazole-4-carbonyl chloride CAS Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-4-pyrazolecarbonyl chloride IUPAC Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxopyrazole-4-carbonyl chloride Traditional Name: 3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-5-keto-2-methyl-3-pyrazoline-4-carbonyl chloride Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C#N)C(=O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N(N2C)C3=CC=C(C=C3)C#N)C(=O)Cl

InChI

InChI=1S/C22H20ClN3O2/c1-22(2,3)16-9-7-15(8-10-16)19-18(20(23)27)21(28)26(25(19)4)17-11-5-14(13-24)6-12-17/h5-12H,1-4H3