8-[2-[(1-oxidanyl-3-phenyl-propyl)amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 8-[2-[(1-oxidanyl-3-phenyl-propyl)amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-benzyloxy-8-[2-[(1-hydroxy-3-phenyl-propyl)amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 8-[2-[(1-hydroxy-3-phenylpropyl)amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 8-[2-[(1-hydroxy-3-phenylpropyl)amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-benzoxy-8-[2-[(1-hydroxy-3-phenyl-propyl)amino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C(=CC(=C2)OCC3=CC=CC=C3)CCNC(CCC4=CC=CC=C4)O.Cl

Isomeric SMILES

C1C(=O)NC2=C(O1)C(=CC(=C2)OCC3=CC=CC=C3)CCNC(CCC4=CC=CC=C4)O.Cl

InChI

InChI=1S/C26H28N2O4.ClH/c29-24(12-11-19-7-3-1-4-8-19)27-14-13-21-15-22(31-17-20-9-5-2-6-10-20)16-23-26(21)32-18-25(30)28-23;/h1-10,15-16,24,27,29H,11-14,17-18H2,(H,28,30);1H