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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c1-14(16-4-9-20-21(12-16)29-11-3-10-28-20)25-22(27)19-13-24-26(15(19)2)18-7-5-17(23)6-8-18/h4-9,12-14H,3,10-11H2,1-2H3,(H,25,27)