2-[4-[[(2-chlorophenyl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one

Systemtic Name: 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Openeye Name: 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-pyridyl]-4-(3-pyridyl)-1H-pyrazol-3-one CAS Name: 2-[4-[[(2-chlorophenyl)methylamino]methyl]-2-pyridinyl]-4-(3-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 2-[4-[[(2-chlorophenyl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Traditional Name: 2-[4-[[(2-chlorobenzyl)amino]methyl]-2-pyridyl]-4-(3-pyridyl)-3-pyrazolin-3-one Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O/c22-19-6-2-1-4-17(19)13-24-11-15-7-9-25-20(10-15)27-21(28)18(14-26-27)16-5-3-8-23-12-16/h1-10,12,14,24,26H,11,13H2