5-chloranyl-N-(1,1-dimethyl-3H-2-benzofuran-4-yl)-1,3-dimethyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(1,1-dimethyl-3H-2-benzofuran-4-yl)-1,3-dimethyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(1,1-dimethyl-3H-isobenzofuran-4-yl)-1,3-dimethyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(1,1-dimethyl-3H-isobenzofuran-4-yl)-1,3-dimethyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(1,1-dimethyl-3H-2-benzofuran-4-yl)-1,3-dimethylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(1,1-dimethylphthalan-4-yl)-1,3-dimethyl-pyrazole-4-carboxamide Formula: C16H18ClN3O2 MolecularWeight: 319.78602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=CC3=C2COC3(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=CC3=C2COC3(C)C)Cl)C

InChI

InChI=1S/C16H18ClN3O2/c1-9-13(14(17)20(4)19-9)15(21)18-12-7-5-6-11-10(12)8-22-16(11,2)3/h5-7H,8H2,1-4H3,(H,18,21)