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

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-(3-pyridylmethyl)-4H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-(3-pyridinylmethyl)-4H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-5-(3-pyridylmethyl)-2-pyrazolin-3-one Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3)C

InChI

InChI=1S/C17H17N3O/c1-12-5-6-16(8-13(12)2)20-17(21)10-15(19-20)9-14-4-3-7-18-11-14/h3-8,11H,9-10H2,1-2H3