4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-N'-hydroxy-benzamidine CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-N'-hydroxy-benzamidine Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C(=NO)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)/C(=N/O)/N

InChI

InChI=1S/C15H21N3O3/c16-15(17-20)12-5-7-13(8-6-12)21-11-14(19)18-9-3-1-2-4-10-18/h5-8,20H,1-4,9-11H2,(H2,16,17)