3-(2-fluoranylphenoxy)-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(2-fluoranylphenoxy)-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(2-fluorophenoxy)-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2-fluorophenoxy)-1-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2-fluorophenoxy)-1-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(2-fluorophenoxy)-1-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]propan-1-one Formula: C21H26FN3O2 MolecularWeight: 371.448443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CCOC3=CC=CC=C3F

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)CCOC3=CC=CC=C3F

InChI

InChI=1S/C21H26FN3O2/c1-17-6-4-7-18(23-17)16-24-11-5-12-25(14-13-24)21(26)10-15-27-20-9-3-2-8-19(20)22/h2-4,6-9H,5,10-16H2,1H3