3-[4-(5-azanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 3-[4-(5-azanylpentyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 3-[4-(5-aminopentyl)-3-oxo-1,4-benzoxazin-2-yl]-N'-hydroxy-benzamidine CAS Name: 3-[4-(5-aminopentyl)-3-oxo-1,4-benzoxazin-2-yl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 3-[4-(5-aminopentyl)-3-oxo-1,4-benzoxazin-2-yl]-N'-hydroxybenzenecarboximidamide Traditional Name: 3-[4-(5-aminopentyl)-3-keto-1,4-benzoxazin-2-yl]-N'-hydroxy-benzamidine Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)C(=NO)N)CCCCCN

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(O2)C3=CC=CC(=C3)/C(=N/O)/N)CCCCCN

InChI

InChI=1S/C20H24N4O3/c21-11-4-1-5-12-24-16-9-2-3-10-17(16)27-18(20(24)25)14-7-6-8-15(13-14)19(22)23-26/h2-3,6-10,13,18,26H,1,4-5,11-12,21H2,(H2,22,23)