N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-3,5-bis(fluoranyl)benzamide

Systemtic Name: N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-3,5-bis(fluoranyl)benzamide Openeye Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3,5-difluoro-benzamide CAS Name: N-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-3,5-difluorobenzamide IUPAC Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3,5-difluorobenzamide Traditional Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3,5-difluoro-benzamide Formula: C20H21F2N3O2 MolecularWeight: 373.396446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C20H21F2N3O2/c1-13-9-14(20(27)25-7-2-5-23-6-8-25)3-4-18(13)24-19(26)15-10-16(21)12-17(22)11-15/h3-4,9-12,23H,2,5-8H2,1H3,(H,24,26)