2-[4-[2-[(3-chlorophenyl)amino]pyridin-4-yl]pyridin-2-yl]-1,4-dimethyl-pyrazol-3-one

Systemtic Name: 2-[4-[2-[(3-chlorophenyl)amino]pyridin-4-yl]pyridin-2-yl]-1,4-dimethyl-pyrazol-3-one Openeye Name: 2-[4-[2-(3-chloroanilino)-4-pyridyl]-2-pyridyl]-1,4-dimethyl-pyrazol-3-one CAS Name: 2-[4-[2-(3-chloroanilino)-4-pyridinyl]-2-pyridinyl]-1,4-dimethyl-3-pyrazolone IUPAC Name: 2-[4-[2-(3-chloroanilino)pyridin-4-yl]pyridin-2-yl]-1,4-dimethylpyrazol-3-one Traditional Name: 2-[4-[2-(3-chloroanilino)-4-pyridyl]-2-pyridyl]-1,4-dimethyl-3-pyrazolin-3-one Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N(C1=O)C2=NC=CC(=C2)C3=CC(=NC=C3)NC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CN(N(C1=O)C2=NC=CC(=C2)C3=CC(=NC=C3)NC4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C21H18ClN5O/c1-14-13-26(2)27(21(14)28)20-11-16(7-9-24-20)15-6-8-23-19(10-15)25-18-5-3-4-17(22)12-18/h3-13H,1-2H3,(H,23,25)