6-[6-(phenethylamino)hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 6-[6-(phenethylamino)hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-[6-(phenethylamino)hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-[1-oxo-6-(phenethylamino)hexyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-[6-(phenethylamino)hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-[6-(phenethylamino)hexanoyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCCCCNCCC3=CC=CC=C3.Cl

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCCCCNCCC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H26N2O3.ClH/c25-20(18-10-11-21-19(15-18)24-22(26)16-27-21)9-5-2-6-13-23-14-12-17-7-3-1-4-8-17;/h1,3-4,7-8,10-11,15,23H,2,5-6,9,12-14,16H2,(H,24,26);1H