4-butyl-5-(1H-imidazol-2-ylmethyl)-2-pyridin-2-yl-4H-pyrazol-3-one

Systemtic Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-pyridin-2-yl-4H-pyrazol-3-one Openeye Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(2-pyridyl)-4H-pyrazol-3-one CAS Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(2-pyridinyl)-4H-pyrazol-3-one IUPAC Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-pyridin-2-yl-4H-pyrazol-3-one Traditional Name: 4-butyl-5-(1H-imidazol-2-ylmethyl)-2-(2-pyridyl)-2-pyrazolin-3-one Formula: C16H19N5O MolecularWeight: 297.35496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=NN(C1=O)C2=CC=CC=N2)CC3=NC=CN3

Isomeric SMILES

CCCCC1C(=NN(C1=O)C2=CC=CC=N2)CC3=NC=CN3

InChI

InChI=1S/C16H19N5O/c1-2-3-6-12-13(11-14-17-9-10-18-14)20-21(16(12)22)15-7-4-5-8-19-15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,17,18)