2-[4-[(3-chlorophenyl)amino]-3-pyridin-4-yl-pyridin-2-yl]-4,4,5-trimethyl-pyrazol-3-one

Systemtic Name: 2-[4-[(3-chlorophenyl)amino]-3-pyridin-4-yl-pyridin-2-yl]-4,4,5-trimethyl-pyrazol-3-one Openeye Name: 2-[4-(3-chloroanilino)-3-(4-pyridyl)-2-pyridyl]-4,4,5-trimethyl-pyrazol-3-one CAS Name: 2-[4-(3-chloroanilino)-3-pyridin-4-yl-2-pyridinyl]-4,4,5-trimethyl-3-pyrazolone IUPAC Name: 2-[4-(3-chloroanilino)-3-pyridin-4-ylpyridin-2-yl]-4,4,5-trimethylpyrazol-3-one Traditional Name: 2-[4-(3-chloroanilino)-3-(4-pyridyl)-2-pyridyl]-4,4,5-trimethyl-2-pyrazolin-3-one Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C)C)C2=NC=CC(=C2C3=CC=NC=C3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C(=O)C1(C)C)C2=NC=CC(=C2C3=CC=NC=C3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O/c1-14-22(2,3)21(29)28(27-14)20-19(15-7-10-24-11-8-15)18(9-12-25-20)26-17-6-4-5-16(23)13-17/h4-13H,1-3H3,(H,25,26)