4-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-oxo-3-propyl-pyrazol-1-yl]benzonitrile CAS Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propyl-1-pyrazolyl]benzonitrile IUPAC Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propylpyrazol-1-yl]benzonitrile Traditional Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-propyl-2-pyrazolin-1-yl]benzonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNC2=CC=CC=C2CC)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/NC2=CC=CC=C2CC)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22N4O/c1-3-7-21-19(15-24-20-9-6-5-8-17(20)4-2)22(27)26(25-21)18-12-10-16(14-23)11-13-18/h5-6,8-13,15,24H,3-4,7H2,1-2H3/b19-15+