3-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4E)-4-[(4-dimethylaminophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile Traditional Name: 3-[(4E)-4-[4-(dimethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]propionitrile Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O/c1-12-15(16(21)20(18-12)10-4-9-17)11-13-5-7-14(8-6-13)19(2)3/h5-8,11H,4,10H2,1-3H3/b15-11+