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

Systemtic Name: 4-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]-N-hexyl-benzamide Openeye Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-oxo-3-propyl-pyrazol-1-yl]-N-hexyl-benzamide CAS Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propyl-1-pyrazolyl]-N-hexylbenzamide IUPAC Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propylpyrazol-1-yl]-N-hexylbenzamide Traditional Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-propyl-2-pyrazolin-1-yl]-N-hexyl-benzamide Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(C=C1)N2C(=O)C(=CNC3=CC=CC=C3CC)C(=N2)CCC

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC=CC=C3CC)/C(=N2)CCC

InChI

InChI=1S/C28H36N4O2/c1-4-7-8-11-19-29-27(33)22-15-17-23(18-16-22)32-28(34)24(26(31-32)12-5-2)20-30-25-14-10-9-13-21(25)6-3/h9-10,13-18,20,30H,4-8,11-12,19H2,1-3H3,(H,29,33)/b24-20+