N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c1-13-3-6-15(7-4-13)27-19(21(22,23)24)16(12-25-27)20(28)26-14-5-8-17-18(11-14)30-10-2-9-29-17/h3-8,11-12H,2,9-10H2,1H3,(H,26,28)