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

Systemtic Name: 2-(4-butoxyphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Openeye Name: 2-(4-butoxyphenyl)-5-(3-pyridylmethyl)-4H-pyrazol-3-one CAS Name: 2-(4-butoxyphenyl)-5-(3-pyridinylmethyl)-4H-pyrazol-3-one IUPAC Name: 2-(4-butoxyphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Traditional Name: 2-(4-butoxyphenyl)-5-(3-pyridylmethyl)-2-pyrazolin-3-one Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3

InChI

InChI=1S/C19H21N3O2/c1-2-3-11-24-18-8-6-17(7-9-18)22-19(23)13-16(21-22)12-15-5-4-10-20-14-15/h4-10,14H,2-3,11-13H2,1H3