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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

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