4-[(2-fluoranylphenoxy)methyl]-1-[6-methyl-1-[(2-methylpropan-2-yl)oxy]-2H-pyrazin-5-yl]azepane

Systemtic Name: 4-[(2-fluoranylphenoxy)methyl]-1-[6-methyl-1-[(2-methylpropan-2-yl)oxy]-2H-pyrazin-5-yl]azepane Openeye Name: 1-(1-tert-butoxy-6-methyl-2H-pyrazin-5-yl)-4-[(2-fluorophenoxy)methyl]azepane CAS Name: 4-[(2-fluorophenoxy)methyl]-1-[6-methyl-1-[(2-methylpropan-2-yl)oxy]-2H-pyrazin-5-yl]azepane IUPAC Name: 4-[(2-fluorophenoxy)methyl]-1-[6-methyl-1-[(2-methylpropan-2-yl)oxy]-2H-pyrazin-5-yl]azepane Traditional Name: 1-(1-tert-butoxy-6-methyl-2H-pyrazin-5-yl)-4-[(2-fluorophenoxy)methyl]azepane Formula: C22H32FN3O2 MolecularWeight: 389.506783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CCN1OC(C)(C)C)N2CCCC(CC2)COC3=CC=CC=C3F

Isomeric SMILES

CC1=C(N=CCN1OC(C)(C)C)N2CCCC(CC2)COC3=CC=CC=C3F

InChI

InChI=1S/C22H32FN3O2/c1-17-21(24-12-15-26(17)28-22(2,3)4)25-13-7-8-18(11-14-25)16-27-20-10-6-5-9-19(20)23/h5-6,9-10,12,18H,7-8,11,13-16H2,1-4H3