2-[4-(2-chloranyl-6-fluoranyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-chloranyl-6-fluoranyl-3-methyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-chloro-6-fluoro-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(2-chloro-6-fluoro-3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-chloro-6-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-chloro-6-fluoro-3-methyl-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C22H25ClFN3O2 MolecularWeight: 417.904203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)F)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)F)C(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H25ClFN3O2/c1-16-8-9-18(24)20(21(16)23)22(29)27-11-5-10-26(12-13-27)15-19(28)25-14-17-6-3-2-4-7-17/h2-4,6-9H,5,10-15H2,1H3,(H,25,28)