(3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-N,N-dimethyl-butanamide

Systemtic Name: (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-N,N-dimethyl-butanamide Openeye Name: (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-N,N-dimethyl-butanamide CAS Name: (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-N,N-dimethylbutanamide IUPAC Name: (3E)-3-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-N,N-dimethylbutanamide Traditional Name: (3E)-3-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-N,N-dimethyl-butyramide Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)CC(=O)N(C)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/CC(=O)N(C)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN3O2/c1-10(9-14(21)19(3)4)15-11(2)18-20(16(15)22)13-7-5-12(17)6-8-13/h5-8H,9H2,1-4H3/b15-10+