4-(3,4-dichlorophenyl)-2-methyl-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrazol-3-one

Systemtic Name: 4-(3,4-dichlorophenyl)-2-methyl-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrazol-3-one Openeye Name: 4-(3,4-dichlorophenyl)-2-methyl-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrazol-3-one CAS Name: 4-(3,4-dichlorophenyl)-2-methyl-5-pyridin-4-yl-1-(3-pyridinylmethyl)-3-pyrazolone IUPAC Name: 4-(3,4-dichlorophenyl)-2-methyl-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrazol-3-one Traditional Name: 4-(3,4-dichlorophenyl)-2-methyl-5-(4-pyridyl)-1-(3-pyridylmethyl)-3-pyrazolin-3-one Formula: C21H16Cl2N4O MolecularWeight: 411.28394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1CC2=CN=CC=C2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C(=O)C(=C(N1CC2=CN=CC=C2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N4O/c1-26-21(28)19(16-4-5-17(22)18(23)11-16)20(15-6-9-24-10-7-15)27(26)13-14-3-2-8-25-12-14/h2-12H,13H2,1H3