4-methyl-2-(4-pentylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one

Systemtic Name: 4-methyl-2-(4-pentylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Openeye Name: 4-methyl-2-(4-pentylphenyl)-5-(3-pyridyl)-4H-pyrazol-3-one CAS Name: 4-methyl-2-(4-pentylphenyl)-5-(3-pyridinyl)-4H-pyrazol-3-one IUPAC Name: 4-methyl-2-(4-pentylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Traditional Name: 2-(4-amylphenyl)-4-methyl-5-(3-pyridyl)-2-pyrazolin-3-one Formula: C20H23N3O MolecularWeight: 321.41612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CN=CC=C3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CN=CC=C3)C

InChI

InChI=1S/C20H23N3O/c1-3-4-5-7-16-9-11-18(12-10-16)23-20(24)15(2)19(22-23)17-8-6-13-21-14-17/h6,8-15H,3-5,7H2,1-2H3