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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O3/c1-27-12-16(20(28)25-15-5-2-4-14(11-15)21(22,23)24)19(26-27)13-6-7-17-18(10-13)30-9-3-8-29-17/h2,4-7,10-12H,3,8-9H2,1H3,(H,25,28)