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

Systemtic Name: 2-[4-[[(4-methylphenyl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Openeye Name: 2-[4-[(p-tolylmethylamino)methyl]-2-pyridyl]-4-(3-pyridyl)-1H-pyrazol-3-one CAS Name: 2-[4-[[(4-methylphenyl)methylamino]methyl]-2-pyridinyl]-4-(3-pyridinyl)-1H-pyrazol-3-one IUPAC Name: 2-[4-[[(4-methylphenyl)methylamino]methyl]pyridin-2-yl]-4-pyridin-3-yl-1H-pyrazol-3-one Traditional Name: 2-[4-[[(4-methylbenzyl)amino]methyl]-2-pyridyl]-4-(3-pyridyl)-3-pyrazolin-3-one Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC(=NC=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

InChI

InChI=1S/C22H21N5O/c1-16-4-6-17(7-5-16)12-24-13-18-8-10-25-21(11-18)27-22(28)20(15-26-27)19-3-2-9-23-14-19/h2-11,14-15,24,26H,12-13H2,1H3