4-[3-azanyl-4-[2,5-bis(fluoranyl)phenyl]butanoyl]-1-methyl-1,4-diazepan-2-one

Systemtic Name: 4-[3-azanyl-4-[2,5-bis(fluoranyl)phenyl]butanoyl]-1-methyl-1,4-diazepan-2-one Openeye Name: 4-[3-amino-4-(2,5-difluorophenyl)butanoyl]-1-methyl-1,4-diazepan-2-one CAS Name: 4-[3-amino-4-(2,5-difluorophenyl)-1-oxobutyl]-1-methyl-1,4-diazepan-2-one IUPAC Name: 4-[3-amino-4-(2,5-difluorophenyl)butanoyl]-1-methyl-1,4-diazepan-2-one Traditional Name: 4-[3-amino-4-(2,5-difluorophenyl)butanoyl]-1-methyl-1,4-diazepan-2-one Formula: C16H21F2N3O2 MolecularWeight: 325.353646

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1=O)C(=O)CC(CC2=C(C=CC(=C2)F)F)N

Isomeric SMILES

CN1CCCN(CC1=O)C(=O)CC(CC2=C(C=CC(=C2)F)F)N

InChI

InChI=1S/C16H21F2N3O2/c1-20-5-2-6-21(10-16(20)23)15(22)9-13(19)8-11-7-12(17)3-4-14(11)18/h3-4,7,13H,2,5-6,8-10,19H2,1H3