1-[2-(4-fluoranylphenoxy)ethyl]-5-[methyl-(phenylmethyl)amino]azepan-2-one

Systemtic Name: 1-[2-(4-fluoranylphenoxy)ethyl]-5-[methyl-(phenylmethyl)amino]azepan-2-one Openeye Name: 5-[benzyl(methyl)amino]-1-[2-(4-fluorophenoxy)ethyl]azepan-2-one CAS Name: 1-[2-(4-fluorophenoxy)ethyl]-5-[methyl-(phenylmethyl)amino]-2-azepanone IUPAC Name: 5-[benzyl(methyl)amino]-1-[2-(4-fluorophenoxy)ethyl]azepan-2-one Traditional Name: 5-[benzyl(methyl)amino]-1-[2-(4-fluorophenoxy)ethyl]azepan-2-one Formula: C22H27FN2O2 MolecularWeight: 370.460383

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCC(=O)N(CC2)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C2CCC(=O)N(CC2)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O2/c1-24(17-18-5-3-2-4-6-18)20-9-12-22(26)25(14-13-20)15-16-27-21-10-7-19(23)8-11-21/h2-8,10-11,20H,9,12-17H2,1H3