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

Systemtic Name: 2-[3-[(4-hexylphenyl)amino]phenyl]-4H-pyrazol-3-one Openeye Name: 2-[3-(4-hexylanilino)phenyl]-4H-pyrazol-3-one CAS Name: 2-[3-(4-hexylanilino)phenyl]-4H-pyrazol-3-one IUPAC Name: 2-[3-(4-hexylanilino)phenyl]-4H-pyrazol-3-one Traditional Name: 2-[3-(4-hexylanilino)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=CC=CC(=C2)N3C(=O)CC=N3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC2=CC=CC(=C2)N3C(=O)CC=N3

InChI

InChI=1S/C21H25N3O/c1-2-3-4-5-7-17-10-12-18(13-11-17)23-19-8-6-9-20(16-19)24-21(25)14-15-22-24/h6,8-13,15-16,23H,2-5,7,14H2,1H3