N-(4-bromanyl-2-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxidanylidene-ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-oxo-acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(1,4-diazepan-1-yl)-2-keto-acetamide Formula: C14H18BrN3O2 MolecularWeight: 340.21562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(=O)N2CCCNCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(=O)N2CCCNCC2

InChI

InChI=1S/C14H18BrN3O2/c1-10-9-11(15)3-4-12(10)17-13(19)14(20)18-7-2-5-16-6-8-18/h3-4,9,16H,2,5-8H2,1H3,(H,17,19)