N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H17ClFN3O3/c1-25-11-14(20(26)23-13-4-5-16(22)15(21)10-13)19(24-25)12-3-6-17-18(9-12)28-8-2-7-27-17/h3-6,9-11H,2,7-8H2,1H3,(H,23,26)