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

Systemtic Name: 4-methyl-2-(4-propylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Openeye Name: 4-methyl-2-(4-propylphenyl)-5-(3-pyridyl)-4H-pyrazol-3-one CAS Name: 4-methyl-2-(4-propylphenyl)-5-(3-pyridinyl)-4H-pyrazol-3-one IUPAC Name: 4-methyl-2-(4-propylphenyl)-5-pyridin-3-yl-4H-pyrazol-3-one Traditional Name: 4-methyl-2-(4-propylphenyl)-5-(3-pyridyl)-2-pyrazolin-3-one Formula: C18H19N3O MolecularWeight: 293.36296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CN=CC=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CN=CC=C3)C

InChI

InChI=1S/C18H19N3O/c1-3-5-14-7-9-16(10-8-14)21-18(22)13(2)17(20-21)15-6-4-11-19-12-15/h4,6-13H,3,5H2,1-2H3