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

Systemtic Name: 2-(3-methylphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Openeye Name: 2-(m-tolyl)-5-(3-pyridylmethyl)-4H-pyrazol-3-one CAS Name: 2-(3-methylphenyl)-5-(3-pyridinylmethyl)-4H-pyrazol-3-one IUPAC Name: 2-(3-methylphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Traditional Name: 2-(m-tolyl)-5-(3-pyridylmethyl)-2-pyrazolin-3-one Formula: C16H15N3O MolecularWeight: 265.3098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O/c1-12-4-2-6-15(8-12)19-16(20)10-14(18-19)9-13-5-3-7-17-11-13/h2-8,11H,9-10H2,1H3