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

Systemtic Name: 4-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-N-hexyl-benzamide Openeye Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-3-methyl-5-oxo-pyrazol-1-yl]-N-hexyl-benzamide CAS Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxo-1-pyrazolyl]-N-hexylbenzamide IUPAC Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-3-methyl-5-oxopyrazol-1-yl]-N-hexylbenzamide Traditional Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]-N-hexyl-benzamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2/c1-4-6-7-10-17-27-25(31)21-13-15-22(16-14-21)30-26(32)23(19(3)29-30)18-28-24-12-9-8-11-20(24)5-2/h8-9,11-16,18,28H,4-7,10,17H2,1-3H3,(H,27,31)/b23-18+