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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3-fluoro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-3-fluorobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-3-fluorobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-3-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(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2/c1-14-6-7-16(20(26)24-10-3-8-22-9-11-24)13-18(14)23-19(25)15-4-2-5-17(21)12-15/h2,4-7,12-13,22H,3,8-11H2,1H3,(H,23,25)