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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C26H22FN3O4 MolecularWeight: 459.468983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC4=C(C=C3)OCCCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O4/c1-32-21-5-2-4-17(14-21)25-22(16-30(29-25)20-9-6-18(27)7-10-20)26(31)28-19-8-11-23-24(15-19)34-13-3-12-33-23/h2,4-11,14-16H,3,12-13H2,1H3,(H,28,31)