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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC3=C(C=C2)OCCCO3)Cl)C4=CC=C(C=C4)F

InChI

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