5-[(4-hexylphenyl)amino]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-[(4-hexylphenyl)amino]-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-(4-hexylanilino)-2-phenyl-4H-pyrazol-3-one CAS Name: 5-(4-hexylanilino)-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-(4-hexylanilino)-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-(4-hexylanilino)-2-phenyl-2-pyrazolin-3-one Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC2=NN(C(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=NN(C(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-2-3-4-6-9-17-12-14-18(15-13-17)22-20-16-21(25)24(23-20)19-10-7-5-8-11-19/h5,7-8,10-15H,2-4,6,9,16H2,1H3,(H,22,23)