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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1F)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC(C1=CC=CC=C1F)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H22FN3O3/c1-14(16-6-3-4-7-18(16)23)24-22(27)17-13-26(2)25-21(17)15-8-9-19-20(12-15)29-11-5-10-28-19/h3-4,6-9,12-14H,5,10-11H2,1-2H3,(H,24,27)