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

Systemtic Name: 4-[(4E)-4-[[(2-ethylphenyl)amino]methylidene]-5-oxidanylidene-3-propyl-pyrazol-1-yl]-N,N-dihexyl-benzamide Openeye Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-oxo-3-propyl-pyrazol-1-yl]-N,N-dihexyl-benzamide CAS Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propyl-1-pyrazolyl]-N,N-dihexylbenzamide IUPAC Name: 4-[(4E)-4-[(2-ethylanilino)methylidene]-5-oxo-3-propylpyrazol-1-yl]-N,N-dihexylbenzamide Traditional Name: 4-[(4E)-4-[(2-ethylanilino)methylene]-5-keto-3-propyl-2-pyrazolin-1-yl]-N,N-dihexyl-benzamide Formula: C34H48N4O2 MolecularWeight: 544.77052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48N4O2/c1-5-9-11-15-24-37(25-16-12-10-6-2)33(39)28-20-22-29(23-21-28)38-34(40)30(32(36-38)17-7-3)26-35-31-19-14-13-18-27(31)8-4/h13-14,18-23,26,35H,5-12,15-17,24-25H2,1-4H3/b30-26+