2-(4-butylphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one

Systemtic Name: 2-(4-butylphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Openeye Name: 2-(4-butylphenyl)-5-(3-pyridylmethyl)-4H-pyrazol-3-one CAS Name: 2-(4-butylphenyl)-5-(3-pyridinylmethyl)-4H-pyrazol-3-one IUPAC Name: 2-(4-butylphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Traditional Name: 2-(4-butylphenyl)-5-(3-pyridylmethyl)-2-pyrazolin-3-one Formula: C19H21N3O MolecularWeight: 307.38954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3

InChI

InChI=1S/C19H21N3O/c1-2-3-5-15-7-9-18(10-8-15)22-19(23)13-17(21-22)12-16-6-4-11-20-14-16/h4,6-11,14H,2-3,5,12-13H2,1H3