3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(trifluoromethyloxy)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(trifluoromethyloxy)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O4/c1-27-12-16(20(28)25-14-4-6-15(7-5-14)31-21(22,23)24)19(26-27)13-3-8-17-18(11-13)30-10-2-9-29-17/h3-8,11-12H,2,9-10H2,1H3,(H,25,28)