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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-4-fluoro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-4-fluorobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-4-fluorobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-4-fluoro-benzamide Formula: C20H22FN3O2 MolecularWeight: 355.405983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2/c1-14-3-4-16(20(26)24-11-2-9-22-10-12-24)13-18(14)23-19(25)15-5-7-17(21)8-6-15/h3-8,13,22H,2,9-12H2,1H3,(H,23,25)