[6-(3-oxidanylidene-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridin-3-yl]methyl N-(3-chlorophenyl)carbamate

Systemtic Name: [6-(3-oxidanylidene-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridin-3-yl]methyl N-(3-chlorophenyl)carbamate Openeye Name: [6-[3-oxo-4-(3-pyridyl)-1H-pyrazol-2-yl]-3-pyridyl]methyl N-(3-chlorophenyl)carbamate CAS Name: N-(3-chlorophenyl)carbamic acid [6-[3-oxo-4-(3-pyridinyl)-1H-pyrazol-2-yl]-3-pyridinyl]methyl ester IUPAC Name: [6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridin-3-yl]methyl N-(3-chlorophenyl)carbamate Traditional Name: N-(3-chlorophenyl)carbamic acid [6-[5-keto-4-(3-pyridyl)-3-pyrazolin-1-yl]-3-pyridyl]methyl ester Formula: C21H16ClN5O3 MolecularWeight: 421.83644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CN=C(C=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CN=C(C=C2)N3C(=O)C(=CN3)C4=CN=CC=C4

InChI

InChI=1S/C21H16ClN5O3/c22-16-4-1-5-17(9-16)26-21(29)30-13-14-6-7-19(24-10-14)27-20(28)18(12-25-27)15-3-2-8-23-11-15/h1-12,25H,13H2,(H,26,29)