(4E)-2-(4-bromophenyl)-4-[[(2-ethylphenyl)amino]methylidene]-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-2-(4-bromophenyl)-4-[[(2-ethylphenyl)amino]methylidene]-5-propyl-pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-4-[(2-ethylanilino)methylene]-5-propyl-pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-4-[(2-ethylanilino)methylidene]-5-propyl-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(2-ethylanilino)methylidene]-5-propylpyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-4-[(2-ethylanilino)methylene]-5-propyl-2-pyrazolin-3-one Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O/c1-3-7-20-18(14-23-19-9-6-5-8-15(19)4-2)21(26)25(24-20)17-12-10-16(22)11-13-17/h5-6,8-14,23H,3-4,7H2,1-2H3/b18-14+