2-[(4-butylphenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one

Systemtic Name: 2-[(4-butylphenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one Openeye Name: 2-[(4-butylphenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one CAS Name: 2-[(4-butylphenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one IUPAC Name: 2-[(4-butylphenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one Traditional Name: 2-(4-butylbenzyl)-5-methyl-4-phenyl-3-pyrazolin-3-one Formula: C21H24N2O MolecularWeight: 320.42806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C(=O)C(=C(N2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C(=O)C(=C(N2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c1-3-4-8-17-11-13-18(14-12-17)15-23-21(24)20(16(2)22-23)19-9-6-5-7-10-19/h5-7,9-14,22H,3-4,8,15H2,1-2H3