1-(5-chloranyl-2-fluoranyl-phenyl)carbonyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(5-chloranyl-2-fluoranyl-phenyl)carbonyl-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-(5-chloro-2-fluoro-benzoyl)-4-(o-tolylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(5-chloro-2-fluorophenyl)-oxomethyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-(5-chloro-2-fluorobenzoyl)-4-[(2-methylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(5-chloro-2-fluoro-benzoyl)-4-(2-methylbenzyl)-1,4-diazepan-5-one Formula: C20H20ClFN2O2 MolecularWeight: 374.836403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H20ClFN2O2/c1-14-4-2-3-5-15(14)13-24-11-10-23(9-8-19(24)25)20(26)17-12-16(21)6-7-18(17)22/h2-7,12H,8-11,13H2,1H3