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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(3-pyridylmethyl)-4H-pyrazol-3-one CAS Name: 2-(3,4-dimethoxyphenyl)-5-(3-pyridinylmethyl)-4H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethyl)-4H-pyrazol-3-one Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(3-pyridylmethyl)-2-pyrazolin-3-one Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CC(=N2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C17H17N3O3/c1-22-15-6-5-14(10-16(15)23-2)20-17(21)9-13(19-20)8-12-4-3-7-18-11-12/h3-7,10-11H,8-9H2,1-2H3