3-[[2,4-bis(fluoranyl)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[2,4-bis(fluoranyl)phenyl]methylamino]azepan-2-one Openeye Name: 3-[(2,4-difluorophenyl)methylamino]azepan-2-one CAS Name: 3-[(2,4-difluorophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2,4-difluorophenyl)methylamino]azepan-2-one Traditional Name: 3-[(2,4-difluorobenzyl)amino]azepan-2-one Formula: C13H16F2N2O MolecularWeight: 254.275746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C(C=C(C=C2)F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H16F2N2O/c14-10-5-4-9(11(15)7-10)8-17-12-3-1-2-6-16-13(12)18/h4-5,7,12,17H,1-3,6,8H2,(H,16,18)