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

Systemtic Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Openeye Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]-2-pyridyl]-4-(3-pyridyl)-1H-pyrazol-3-one CAS Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]-2-pyridinyl]-4-(3-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 2-[4-[[(3-chlorophenyl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Traditional Name: 2-[4-[[(3-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(=CC(=C1)Cl)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

Isomeric SMILES

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

InChI

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